메뉴 건너뛰기




Volumn 117, Issue 43, 2013, Pages 13543-13555

Methylparaben isolated in solid argon: Structural characterization and UV-induced conversion into methylparaben radical and isomeric ketenes

Author keywords

[No Author keywords available]

Indexed keywords

CARBOXYLIC ESTERS; CHEMICAL PROCESS; ENERGY CONFORMERS; INFRARED SPECTRUM; MATRIX DEPOSITION; P-HYDROXYBENZOIC ACID; SITU IRRADIATIONS; STRUCTURAL CHARACTERIZATION;

EID: 84887109269     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp408366x     Document Type: Article
Times cited : (9)

References (80)
  • 1
    • 0036774921 scopus 로고    scopus 로고
    • Evaluation of the Health Aspects of Methylparaben: A Review of the Published Literature
    • Soni, M. G.; Taylor, S. L.; Greenberg, N. A.; Burdock, G. A. Evaluation of the Health Aspects of Methylparaben: a Review of the Published Literature Food Chem. Toxicol. 2002, 40, 1335-1373
    • (2002) Food Chem. Toxicol. , vol.40 , pp. 1335-1373
    • Soni, M.G.1    Taylor, S.L.2    Greenberg, N.A.3    Burdock, G.A.4
  • 2
    • 0002535417 scopus 로고
    • Frequency of Preservative Use in Cosmetic Formulas as Disclosed to FDA - 1987
    • Decker, R. L.; Wenninger, J. A. Frequency of Preservative Use in Cosmetic Formulas as Disclosed to FDA-1987 Cosmet. Toiletries 1987, 102, 21-24
    • (1987) Cosmet. Toiletries , vol.102 , pp. 21-24
    • Decker, R.L.1    Wenninger, J.A.2
  • 3
    • 0035022508 scopus 로고    scopus 로고
    • Safety Assessment of Propyl Paraben: A Review of the Published Literature
    • Soni, M. G.; Burdock, G. A.; Taylor, S. L.; Greenberg, N. A. Safety Assessment of Propyl Paraben: a Review of the Published Literature Food Chem. Toxicol. 2001, 39, 513-532
    • (2001) Food Chem. Toxicol. , vol.39 , pp. 513-532
    • Soni, M.G.1    Burdock, G.A.2    Taylor, S.L.3    Greenberg, N.A.4
  • 4
    • 17044363528 scopus 로고    scopus 로고
    • High-Performance Liquid Chromatographic Assay of Parabens in Wash-off Cosmetic Products and Foods Using Chemiluminescence Detection
    • Zhang, Q.; Lian, M. L.; Liu, J.; Cui, H. High-Performance Liquid Chromatographic Assay of Parabens in Wash-off Cosmetic Products and Foods Using Chemiluminescence Detection Anal. Chim. Acta 2005, 537, 31-39
    • (2005) Anal. Chim. Acta , vol.537 , pp. 31-39
    • Zhang, Q.1    Lian, M.L.2    Liu, J.3    Cui, H.4
  • 5
    • 0017148516 scopus 로고
    • Re-column Reactions to Eliminate Interferents in the Liquid Chromato-graphic Analysis of p-Hydroxybenzoates in Complex Pharmaceuticals
    • Cantwell, F. F. Re-column Reactions to Eliminate Interferents in the Liquid Chromato-graphic Analysis of p-Hydroxybenzoates in Complex Pharmaceuticals Anal. Chem. 1976, 48, 1854-1859
    • (1976) Anal. Chem. , vol.48 , pp. 1854-1859
    • Cantwell, F.F.1
  • 6
    • 17044392658 scopus 로고    scopus 로고
    • Safety Assessment of Esters of p-Hydroxybenzoic Acid (Parabens)
    • Soni, M. G.; Carabin, I. G.; Burdock, G. A. Safety Assessment of Esters of p-Hydroxybenzoic Acid (Parabens) Food Chem. Toxicol. 2005, 43, 985-1015
    • (2005) Food Chem. Toxicol. , vol.43 , pp. 985-1015
    • Soni, M.G.1    Carabin, I.G.2    Burdock, G.A.3
  • 7
    • 0031884856 scopus 로고    scopus 로고
    • Stability of Methyl p-Hydroxybenzoate (Methylparaben) to Gamma Radiolysis
    • Angelini, G.; Bucci, R.; Colosimo, M.; Margonelli, A. Stability of Methyl p-Hydroxybenzoate (Methylparaben) to Gamma Radiolysis Radiat. Phys. Chem. 1998, 51, 77-83
    • (1998) Radiat. Phys. Chem. , vol.51 , pp. 77-83
    • Angelini, G.1    Bucci, R.2    Colosimo, M.3    Margonelli, A.4
  • 8
    • 0022631167 scopus 로고
    • Short-term Effects of Various Phenols and Acids on the Fischer 344 Male Rat Forestomach Rpithelium
    • Rodrigues, C.; Lok, E.; Nera, E.; Iverson, F.; Page, D.; Karpinski, K.; Clayson, D. B. Short-term Effects of Various Phenols and Acids on the Fischer 344 Male Rat Forestomach Rpithelium Toxicology 1986, 38, 103-117
    • (1986) Toxicology , vol.38 , pp. 103-117
    • Rodrigues, C.1    Lok, E.2    Nera, E.3    Iverson, F.4    Page, D.5    Karpinski, K.6    Clayson, D.B.7
  • 9
    • 0001371914 scopus 로고
    • P-Hydroxybenzoic Acid Esters as Preservatives. II. Acute and Chronic Toxicity in Dogs, Rats, and Mice
    • Matthews, C.; Davidson, J.; Bauer, E.; Morrison, J. L.; Richardson, A. P. p-Hydroxybenzoic Acid Esters as Preservatives. II. Acute and Chronic Toxicity in Dogs, Rats, and Mice J. Am. Pharm. Assoc. 1956, 45, 260-267
    • (1956) J. Am. Pharm. Assoc. , vol.45 , pp. 260-267
    • Matthews, C.1    Davidson, J.2    Bauer, E.3    Morrison, J.L.4    Richardson, A.P.5
  • 11
    • 0037006898 scopus 로고    scopus 로고
    • The Effect of Ethanol on the Simultaneous Transport and Metabolism of Methyl p-Hydroxybenzoate in Excised Skin of Yucatan Micropig
    • Oh, S. Y.; Fujii, M.; Takeda, Y.; Yoda, K.; Utoguchi, N.; Matsumoto, M.; Watanabe, Y. The Effect of Ethanol on the Simultaneous Transport and Metabolism of Methyl p-Hydroxybenzoate in Excised Skin of Yucatan Micropig Int. J. Pharm. 2002, 236, 35-42
    • (2002) Int. J. Pharm. , vol.236 , pp. 35-42
    • Oh, S.Y.1    Fujii, M.2    Takeda, Y.3    Yoda, K.4    Utoguchi, N.5    Matsumoto, M.6    Watanabe, Y.7
  • 12
    • 0033749828 scopus 로고    scopus 로고
    • The Effect of Occlusion on Epidermal Penetration of Parabens from a Commercial Allergy Test Ointment, Acetone and Ethanol Vehicles
    • Cross, S. E.; Roberts, M. S. The Effect of Occlusion on Epidermal Penetration of Parabens from a Commercial Allergy Test Ointment, Acetone and Ethanol Vehicles J. Invest. Dermatol. 2000, 115, 914-918
    • (2000) J. Invest. Dermatol. , vol.115 , pp. 914-918
    • Cross, S.E.1    Roberts, M.S.2
  • 13
    • 84864486211 scopus 로고    scopus 로고
    • Urinary Levels of Triclosan and Parabens are Associated with Aeroallergen and Food Sensitization
    • Savage, H.; Matsui, E. C.; Wood, R. A.; Keet, C. A. Urinary Levels of Triclosan and Parabens are Associated with Aeroallergen and Food Sensitization J. Allergy Clin. Immunol. 2012, 130, 453-460
    • (2012) J. Allergy Clin. Immunol. , vol.130 , pp. 453-460
    • Savage, H.1    Matsui, E.C.2    Wood, R.A.3    Keet, C.A.4
  • 15
    • 0842344497 scopus 로고    scopus 로고
    • Significance of the Detection of Esters of p-Hydroxybenzoic Acid (Parabens) in Human Breast Tumours
    • Harvey, P. W.; Everett, D. J. Significance of the Detection of Esters of p-Hydroxybenzoic Acid (Parabens) in Human Breast Tumours J. Appl. Toxicol. 2004, 24, 1-4
    • (2004) J. Appl. Toxicol. , vol.24 , pp. 1-4
    • Harvey, P.W.1    Everett, D.J.2
  • 17
    • 0034057367 scopus 로고    scopus 로고
    • Allergic Contact Dermatitis Caused by Parabens: 2 Case Reports and a Review
    • Mowad, C. M. Allergic Contact Dermatitis Caused by Parabens: 2 Case Reports and a Review Am. J. Contact Dermatitis 2000, 11, 53-56
    • (2000) Am. J. Contact Dermatitis , vol.11 , pp. 53-56
    • Mowad, C.M.1
  • 18
    • 51449105861 scopus 로고    scopus 로고
    • Combined Activation of Methylparaben by Light Irradiation and Esterase Metabolism Toward Oxidative DNA Damage
    • Okamoto, Y.; Hayashi, T.; Matsunami, S.; Ueda, K.; Kojima, N. Combined Activation of Methylparaben by Light Irradiation and Esterase Metabolism Toward Oxidative DNA Damage Chem. Res. Toxicol. 2008, 21, 1594-1599
    • (2008) Chem. Res. Toxicol. , vol.21 , pp. 1594-1599
    • Okamoto, Y.1    Hayashi, T.2    Matsunami, S.3    Ueda, K.4    Kojima, N.5
  • 19
    • 79961194693 scopus 로고    scopus 로고
    • Study on the THz Spectra of Four Kinds of Nipagin Esters
    • Wang, H.; Zhao, G. Study on the THz Spectra of Four Kinds of Nipagin Esters Chin. Opt. Lett. 2011, 9 S10503-1
    • (2011) Chin. Opt. Lett. , vol.9
    • Wang, H.1    Zhao, G.2
  • 20
    • 68949143441 scopus 로고    scopus 로고
    • Determination of Methylparaben from Cosmetic Products by Ultra Performance Liquid Chromatography
    • Mincea, M. M.; Lupsa, I. R.; Cinghita, D. F.; Radovani, C. V.; Talpos, I.; Ostafe, V. Determination of Methylparaben from Cosmetic Products by Ultra Performance Liquid Chromatography J. Serb. Chem. Soc. 2009, 74, 669-676
    • (2009) J. Serb. Chem. Soc. , vol.74 , pp. 669-676
    • Mincea, M.M.1    Lupsa, I.R.2    Cinghita, D.F.3    Radovani, C.V.4    Talpos, I.5    Ostafe, V.6
  • 21
    • 67549100789 scopus 로고    scopus 로고
    • Analysis of Parabens in Cosmetics by Low Pressure Liquid Chromatography with Monolithic Column and Chemiluminescent Detection
    • Claver, J. B.; Valencia, M. C.; Capitán-Vallvey, L. F. Analysis of Parabens in Cosmetics by Low Pressure Liquid Chromatography with Monolithic Column and Chemiluminescent Detection Talanta 2009, 15, 499-506
    • (2009) Talanta , vol.15 , pp. 499-506
    • Claver, J.B.1    Valencia, M.C.2    Capitán-Vallvey, L.F.3
  • 22
    • 0037015144 scopus 로고    scopus 로고
    • Simultaneous Determination of Methylparaben, Propylparaben, Sodium Diclofenac and its Degradation Product in a Topical Emulgel by Reversed-phase Liquid Chromatography
    • Hájková, R.; Solich, P.; Pospíšilová, M.; Šícha, J. Simultaneous Determination of Methylparaben, Propylparaben, Sodium Diclofenac and its Degradation Product in a Topical Emulgel by Reversed-phase Liquid Chromatography Anal. Chim. Acta 2002, 467, 91-96
    • (2002) Anal. Chim. Acta , vol.467 , pp. 91-96
    • Hájková, R.1    Solich, P.2    Pospíšilová, M.3    Šícha, J.4
  • 23
    • 0032503040 scopus 로고    scopus 로고
    • Determination of Methylparaben, Propylparaben and Chlorpromazinecin Chlorpromazine Hydrochloride Oral Solution by High-Performance Liquid Chromatography
    • Kollmorgen, D.; Kraut, B. Determination of Methylparaben, Propylparaben and Chlorpromazinecin Chlorpromazine Hydrochloride Oral Solution by High-Performance Liquid Chromatography J. Chromatogr., B 1998, 707, 181-187
    • (1998) J. Chromatogr., B , vol.707 , pp. 181-187
    • Kollmorgen, D.1    Kraut, B.2
  • 24
    • 79954416370 scopus 로고    scopus 로고
    • DLLME Combined with GC-MS for the Determination of Methylparaben, Ethylparaben, Propylparaben and Butylparaben in Beverage Samples
    • Han, Y.; Jia, X.; Liu, X.; Duan, T.; Chen, H. DLLME Combined with GC-MS for the Determination of Methylparaben, Ethylparaben, Propylparaben and Butylparaben in Beverage Samples Chromatographia 2010, 72, 351-355
    • (2010) Chromatographia , vol.72 , pp. 351-355
    • Han, Y.1    Jia, X.2    Liu, X.3    Duan, T.4    Chen, H.5
  • 25
    • 79251553155 scopus 로고    scopus 로고
    • GC-MS Determination of Parabens, Triclosan and Methyl Triclosan in Water by in situ Derivatisation and Stir-Barsorptive Extraction
    • Ferreira, A. M. C.; Möder, M.; Laespada, M. E. F. GC-MS Determination of Parabens, Triclosan and Methyl Triclosan in Water by in situ Derivatisation and Stir-Barsorptive Extraction Anal. Bioanal. Chem. 2011, 399, 945-953
    • (2011) Anal. Bioanal. Chem. , vol.399 , pp. 945-953
    • Ferreira, A.M.C.1    Möder, M.2    Laespada, M.E.F.3
  • 26
    • 0030970388 scopus 로고    scopus 로고
    • Simultaneous Determination of Methylparaben, Propylparaben and Thimerosal by High-Performance Liquid Chromatography and Electrochemical Detection
    • Kang, S. H.; Kim, H. Simultaneous Determination of Methylparaben, Propylparaben and Thimerosal by High-Performance Liquid Chromatography and Electrochemical Detection J. Pharm. Biomed. Anal. 1997, 15, 1359-1364
    • (1997) J. Pharm. Biomed. Anal. , vol.15 , pp. 1359-1364
    • Kang, S.H.1    Kim, H.2
  • 27
    • 84879462228 scopus 로고    scopus 로고
    • Determination of Steroids, Caffeine and Methylparaben in Water Using Solid Phase Microextraction-Comprehensive Two Dimensional Gas Chromatography - Time of Flight Mass Spectrometry
    • Gomes, P. C. F. L.; Barnes, B. B.; Santos-Neto, A. J.; Lancas, F. M.; Snow, N. H. Determination of Steroids, Caffeine and Methylparaben in Water Using Solid Phase Microextraction-Comprehensive Two Dimensional Gas Chromatography-Time of Flight Mass Spectrometry J. Chromatogr., A 2013, 1299, 126-130
    • (2013) J. Chromatogr., A , vol.1299 , pp. 126-130
    • Gomes, P.C.F.L.1    Barnes, B.B.2    Santos-Neto, A.J.3    Lancas, F.M.4    Snow, N.H.5
  • 28
    • 33747144459 scopus 로고    scopus 로고
    • Fast Simultaneous Spectrophotometric Determination of Naphazoline Nitrate and Methylparaben by Sequential Injection Chromatography
    • Chocholous, P.; Satínsky, D.; Solich, P. Fast Simultaneous Spectrophotometric Determination of Naphazoline Nitrate and Methylparaben by Sequential Injection Chromatography Talanta 2006, 70, 408-413
    • (2006) Talanta , vol.70 , pp. 408-413
    • Chocholous, P.1    Satínsky, D.2    Solich, P.3
  • 29
    • 80052087872 scopus 로고    scopus 로고
    • Mosquito Larvicidal Activity of Methyl p-Hydroxybenzoate Isolated from the Leaves of Vitex trifolia Linn
    • Kannathasan, K.; Senthilkumar, A.; Venkatesalu, V. Mosquito Larvicidal Activity of Methyl p-Hydroxybenzoate Isolated from the Leaves of Vitex trifolia Linn Acta Trop. 2011, 115, 115-118
    • (2011) Acta Trop. , vol.115 , pp. 115-118
    • Kannathasan, K.1    Senthilkumar, A.2    Venkatesalu, V.3
  • 30
    • 48849101283 scopus 로고    scopus 로고
    • Construction of Simplified Models to Simulate Estrogenic Disruptions by Esters of 4-Hydroxy Benzoic Acid (Parabens)
    • Guadarrama, P.; Fomine, S.; Salcedo, R.; Martínez, A. Construction of Simplified Models to Simulate Estrogenic Disruptions by Esters of 4-Hydroxy Benzoic Acid (Parabens) Biophys. Chem. 2008, 137, 1-6
    • (2008) Biophys. Chem. , vol.137 , pp. 1-6
    • Guadarrama, P.1    Fomine, S.2    Salcedo, R.3    Martínez, A.4
  • 31
    • 84874055632 scopus 로고    scopus 로고
    • Spectral Characterization of the Binding and Conformational Changes of Bovine Serum Albumin upon Interaction with an Anti-fungal Drug, Methylparaben
    • Naik, K. M.; Nandibewoor, S. T. Spectral Characterization of the Binding and Conformational Changes of Bovine Serum Albumin upon Interaction with an Anti-fungal Drug, Methylparaben Spectrochim. Acta, Part A 2013, 105, 418-423
    • (2013) Spectrochim. Acta, Part A , vol.105 , pp. 418-423
    • Naik, K.M.1    Nandibewoor, S.T.2
  • 32
    • 33644512806 scopus 로고    scopus 로고
    • Structural and Electronic Contributions to Hyperpolarizability in Methyl p-Hydroxybenzoate
    • Sajan, D.; Joe, H.; Jayakumar, V. S.; Zaleski, J. Structural and Electronic Contributions to Hyperpolarizability in Methyl p-Hydroxybenzoate J. Mol. Struct. 2006, 785, 43-53
    • (2006) J. Mol. Struct. , vol.785 , pp. 43-53
    • Sajan, D.1    Joe, H.2    Jayakumar, V.S.3    Zaleski, J.4
  • 33
    • 3242749702 scopus 로고    scopus 로고
    • Spectral Studies of Methyl p-Hydroxybenzoate: An Organic Non-linear Optical Crystalline Material
    • Dhanuskodi, S.; Manikandan, S. Spectral Studies of Methyl p-Hydroxybenzoate: an Organic Non-linear Optical Crystalline Material Cryst. Res. Technol. 2004, 39, 586-591
    • (2004) Cryst. Res. Technol. , vol.39 , pp. 586-591
    • Dhanuskodi, S.1    Manikandan, S.2
  • 34
    • 84876937915 scopus 로고    scopus 로고
    • Four Polymorphs of Methylparaben: Structural Relationships and Relative Energy Differences
    • Gelbrich, T.; Braun, D. E.; Ellern, A.; Griesser, U. J. Four Polymorphs of Methylparaben: Structural Relationships and Relative Energy Differences Cryst. Growth Des. 2013, 13, 1206-1217
    • (2013) Cryst. Growth Des. , vol.13 , pp. 1206-1217
    • Gelbrich, T.1    Braun, D.E.2    Ellern, A.3    Griesser, U.J.4
  • 35
    • 34347193676 scopus 로고
    • Mikroskopische Untersuchungen an Polymorphen Substanzen
    • Lindpaintner, E. Mikroskopische Untersuchungen an Polymorphen Substanzen Mikrochemie 1939, 27, 21-41
    • (1939) Mikrochemie , vol.27 , pp. 21-41
    • Lindpaintner, E.1
  • 36
    • 34548285341 scopus 로고    scopus 로고
    • Structural and Optical Characterization on Solution Grown Methyl p-Hydroxybenzoate Single Crystals
    • Vijayan, N.; Bhagavannarayana, G.; Gopalakrishnan, R.; Ramasamy, P. Structural and Optical Characterization on Solution Grown Methyl p-Hydroxybenzoate Single Crystals Indian J. Chem., Sect. A 2007, 46, 70-73
    • (2007) Indian J. Chem., Sect. A , vol.46 , pp. 70-73
    • Vijayan, N.1    Bhagavannarayana, G.2    Gopalakrishnan, R.3    Ramasamy, P.4
  • 37
    • 0029359405 scopus 로고
    • Novel Nonlinear Optical Crystal of Methyl p-Hydroxybenzoate
    • Aithal, P. S.; Rao, M. Novel Nonlinear Optical Crystal of Methyl p-Hydroxybenzoate J. Cryst. Growth 1995, 153, 60-62
    • (1995) J. Cryst. Growth , vol.153 , pp. 60-62
    • Aithal, P.S.1    Rao, M.2
  • 38
    • 79953898141 scopus 로고    scopus 로고
    • Crystal Structure of Methylparaben Polymorph II
    • Nath, N. K.; Aggarwal, H.; Nangia, A. Crystal Structure of Methylparaben Polymorph II Cryst. Growth Des. 2011, 11, 967-971
    • (2011) Cryst. Growth Des. , vol.11 , pp. 967-971
    • Nath, N.K.1    Aggarwal, H.2    Nangia, A.3
  • 40
    • 33746845234 scopus 로고    scopus 로고
    • Conformational Cooling and Conformationally Selective Aggregation in Dimethyl Sulfite Isolated in Solid Rare Gases
    • Borba, A.; Gómez-Zavaglia, A.; Fausto, R. Conformational Cooling and Conformationally Selective Aggregation in Dimethyl Sulfite Isolated in Solid Rare Gases J. Mol. Struct. 2006, 794, 196-203
    • (2006) J. Mol. Struct. , vol.794 , pp. 196-203
    • Borba, A.1    Gómez-Zavaglia, A.2    Fausto, R.3
  • 41
    • 33750968765 scopus 로고    scopus 로고
    • Stepwise Conformational Cooling Towards a Single Isomeric State in the Four Internal Rotors System 1,2-Butanediol
    • Reva, I. D.; Lopes de Jesus, A. J.; Rosado, M. T. S.; Fausto, R.; Eusébio, M. E.; Redinha, J. S. Stepwise Conformational Cooling Towards a Single Isomeric State in the Four Internal Rotors System 1,2-Butanediol Phys. Chem. Chem. Phys. 2006, 8, 5339-5349
    • (2006) Phys. Chem. Chem. Phys. , vol.8 , pp. 5339-5349
    • Reva, I.D.1    Lopes De Jesus, A.J.2    Rosado, M.T.S.3    Fausto, R.4    Eusébio, M.E.5    Redinha, J.S.6
  • 42
    • 0038125625 scopus 로고    scopus 로고
    • Missing Conformers: Comparative Study of Conformational Cooling in Cyanoacetic Acid and Methyl Cyanoacetate Isolated in Low Temperature Inert Gas Matrixes
    • Reva, I. D.; Stepanian, S. G.; Adamowicz, L.; Fausto, R. Missing Conformers: Comparative Study of Conformational Cooling in Cyanoacetic Acid and Methyl Cyanoacetate Isolated in Low Temperature Inert Gas Matrixes Chem. Phys. Lett. 2003, 374, 631-638
    • (2003) Chem. Phys. Lett. , vol.374 , pp. 631-638
    • Reva, I.D.1    Stepanian, S.G.2    Adamowicz, L.3    Fausto, R.4
  • 44
    • 4243553426 scopus 로고
    • Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior
    • Becke, A. D. Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior Phys. Rev. A 1988, 38, 3098-3100
    • (1988) Phys. Rev. A , vol.38 , pp. 3098-3100
    • Becke, A.D.1
  • 45
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density
    • Lee, C. T.; Yang, W. T.; Parr, R. G. Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density Phys. Rev. B 1988, 37, 785-789
    • (1988) Phys. Rev. B , vol.37 , pp. 785-789
    • Lee, C.T.1    Yang, W.T.2    Parr, R.G.3
  • 46
    • 0141509423 scopus 로고
    • Contracted Gaussian Basis Sets for Molecular Calculations. I. Second Row Atoms, Z=11-18
    • McLean, A. D.; Chandler, G. S. Contracted Gaussian Basis Sets for Molecular Calculations. I. Second Row Atoms, Z=11-18 J. Chem. Phys. 1980, 72, 5639-5648
    • (1980) J. Chem. Phys. , vol.72 , pp. 5639-5648
    • McLean, A.D.1    Chandler, G.S.2
  • 47
    • 84887088348 scopus 로고
    • VibrationalAnalysis of Polyatomic Molecules. VI. FORTRAN IV Programs for Solvingthe Vibrational Secular Equation and for the Least-Squares Refinementof Force Constants. Project No. 31450. Structural Interpretation ofSpectra; Shell Development Co.
    • Schachtschneider, J. H.; Mortimer, F. S. VibrationalAnalysis of Polyatomic Molecules. VI. FORTRAN IV Programs for Solvingthe Vibrational Secular Equation and for the Least-Squares Refinementof Force Constants. Project No. 31450. Structural Interpretation ofSpectra; Shell Development Co., (1969.
    • (1969)
    • Schachtschneider, J.H.1    Mortimer, F.S.2
  • 48
    • 15944395860 scopus 로고
    • Systematic Ab Initio Gradient Calculation of Molecular Geometries, Force Constants, and Dipole Moment Derivatives
    • Pulay, P.; Fogarasi, G.; Pang, F.; Boggs, J. E. Systematic Ab Initio Gradient Calculation of Molecular Geometries, Force Constants, and Dipole Moment Derivatives J. Am. Chem. Soc. 1979) 101, 2550-2560
    • (1979) J. Am. Chem. Soc. , vol.101 , pp. 2550-2560
    • Pulay, P.1    Fogarasi, G.2    Pang, F.3    Boggs, J.E.4
  • 49
    • 0029731941 scopus 로고    scopus 로고
    • High Resolution UV Spectroscopy of Phenol and the Hydrogen Bonded Phenol-Water Cluster
    • Berden, G.; Meerts, W. L.; Schmitt, M.; Kleinermanns, K. High Resolution UV Spectroscopy of Phenol and the Hydrogen Bonded Phenol-Water Cluster J. Chem. Phys. 1996, 104, 972-982
    • (1996) J. Chem. Phys. , vol.104 , pp. 972-982
    • Berden, G.1    Meerts, W.L.2    Schmitt, M.3    Kleinermanns, K.4
  • 50
    • 24144441245 scopus 로고    scopus 로고
    • Ab Initio Study of the Rotational-Torsional Spectrum of Methyl Formate
    • Senent, M. L.; Villa, M.; Meléndez, F. J.; Domínguez- Gómez, R. Ab Initio Study of the Rotational-Torsional Spectrum of Methyl Formate Astrophys. J. 2005, 627, 567-576
    • (2005) Astrophys. J. , vol.627 , pp. 567-576
    • Senent, M.L.1    Villa, M.2    Meléndez, F.J.3    Domínguez-Gómez, R.4
  • 51
    • 84873573863 scopus 로고    scopus 로고
    • Highly Correlated Ab Initio Study of the Far Infrared Spectra of Methyl Acetate
    • 044319
    • Senent, M. L.; Domínguez-Gómez, R.; Carvajal, M.; Kleiner, I. Highly Correlated Ab Initio Study of the Far Infrared Spectra of Methyl Acetate J. Chem. Phys. 2013, 138 044319
    • (2013) J. Chem. Phys. , vol.138
    • Senent, M.L.1    Domínguez-Gómez, R.2    Carvajal, M.3    Kleiner, I.4
  • 52
    • 0001636227 scopus 로고
    • Microwave Spectrum, Barrier to Internal Rotation, and Structure of Methyl Formate
    • Curl, R. F., Jr. Microwave Spectrum, Barrier to Internal Rotation, and Structure of Methyl Formate J. Chem. Phys. 1959, 30, 1529-1536
    • (1959) J. Chem. Phys. , vol.30 , pp. 1529-1536
    • Curl Jr., R.F.1
  • 53
    • 0001008588 scopus 로고
    • A Molecular Mechanics Force Field for Conformational Analysis of Simple Acyl Chlorides, Carboxylic Acids and Esters
    • Teixeira-Dias, J. J. C.; Fausto, R. A Molecular Mechanics Force Field for Conformational Analysis of Simple Acyl Chlorides, Carboxylic Acids and Esters J. Mol. Struct. 1986, 144, 199-213
    • (1986) J. Mol. Struct. , vol.144 , pp. 199-213
    • Teixeira-Dias, J.J.C.1    Fausto, R.2
  • 54
    • 80053572319 scopus 로고    scopus 로고
    • A Fitting Program for Molecules with Two Inequivalent Methyl Tops and a Plane of Symmetry at Equilibrium: Application to New Microwave and Millimeter-Wave Measurements of Methyl Acetate
    • Tudorie, M.; Kleiner, I.; Hougen, J. T.; Melandri, S.; Sutikdja, L. W.; Stahl, W. A Fitting Program for Molecules with Two Inequivalent Methyl Tops and a Plane of Symmetry at Equilibrium: Application to New Microwave and Millimeter-Wave Measurements of Methyl Acetate J. Mol. Spectrosc. 2011, 269, 211-225
    • (2011) J. Mol. Spectrosc. , vol.269 , pp. 211-225
    • Tudorie, M.1    Kleiner, I.2    Hougen, J.T.3    Melandri, S.4    Sutikdja, L.W.5    Stahl, W.6
  • 57
    • 0347695001 scopus 로고    scopus 로고
    • Rotational Isomerism in Acetic Acid: The First Experimental Observation of the High-Energy Conformer
    • Maçoîas, E. M. S.; Kriachtchev, L.; Pettersson, M.; Fausto, R.; Räsänen, M. Rotational Isomerism in Acetic Acid: The First Experimental Observation of the High-Energy Conformer J. Am. Chem. Soc. 2003, 125, 16188-16189
    • (2003) J. Am. Chem. Soc. , vol.125 , pp. 16188-16189
    • Maçoîas, E.M.S.1    Kriachtchev, L.2    Pettersson, M.3    Fausto, R.4    Räsänen, M.5
  • 59
    • 84857319888 scopus 로고    scopus 로고
    • Spontaneous Tunneling and Near-Infrared-Induced Interconversion between the Amino-Hydroxy Conformers of Cytosine
    • Reva, I.; Nowak, M. J.; Lapinski, L.; Fausto, R. Spontaneous Tunneling and Near-Infrared-Induced Interconversion Between the Amino-Hydroxy Conformers of Cytosine J. Chem. Phys. 2013, 136 064511
    • (2013) J. Chem. Phys. , vol.136 , pp. 064511
    • Reva, I.1    Nowak, M.J.2    Lapinski, L.3    Fausto, R.4
  • 60
    • 67649628229 scopus 로고    scopus 로고
    • Conformational Switching Induced by Near-Infrared Laser Irradiation
    • Sharma, A.; Reva, I.; Fausto, R. Conformational Switching Induced by Near-Infrared Laser Irradiation J. Am. Chem. Soc. 2009, 131, 8752-8753
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 8752-8753
    • Sharma, A.1    Reva, I.2    Fausto, R.3
  • 61
    • 84868220742 scopus 로고    scopus 로고
    • Tunneling Lifetime of the ttc/VIp Conformer of Glycine in Low-Temperature Matrices
    • Bazsó, G.; Magyarfalvi, G.; Tarczay, G. Tunneling Lifetime of the ttc/VIp Conformer of Glycine in Low-Temperature Matrices J. Phys. Chem. A 2012, 116, 10539-10547
    • (2012) J. Phys. Chem. A , vol.116 , pp. 10539-10547
    • Bazsó, G.1    Magyarfalvi, G.2    Tarczay, G.3
  • 62
    • 84874868630 scopus 로고    scopus 로고
    • Near-Infrared Laser Induced Conformational Change of Alanine in Low-Temperature Matrixes and the Tunneling Lifetime of its Conformer VI
    • Bazsó, G.; Najbauer, E. E.; Magyarfalvi, G.; Tarczay, G. Near-Infrared Laser Induced Conformational Change of Alanine in Low-Temperature Matrixes and the Tunneling Lifetime of its Conformer VI J. Phys. Chem. A 2013, 117, 1952-1962
    • (2013) J. Phys. Chem. A , vol.117 , pp. 1952-1962
    • Bazsó, G.1    Najbauer, E.E.2    Magyarfalvi, G.3    Tarczay, G.4
  • 63
    • 84875780030 scopus 로고    scopus 로고
    • Near-IR Laser Generation of a High-Energy Conformer of L-alanine and the Mechanism of its Decay in a Low-Temperature Nitrogen Matrix
    • Nunes, C. M.; Lapinski, L.; Fausto, R.; Reva, I. Near-IR Laser Generation of a High-Energy Conformer of L-alanine and the Mechanism of its Decay in a Low-Temperature Nitrogen Matrix J. Chem. Phys. 2013, 138 125101
    • (2013) J. Chem. Phys. , vol.138 , pp. 125101
    • Nunes, C.M.1    Lapinski, L.2    Fausto, R.3    Reva, I.4
  • 64
    • 77958100845 scopus 로고    scopus 로고
    • Formic and Acetic Acids in a Nitrogen Matrix: Enhanced Stability of the Higher-Energy Conformer
    • Lopes, S.; Domanskaya, A. V.; Fausto, R.; Räsänen, M.; Khriachtchev, L. Formic and Acetic Acids in a Nitrogen Matrix: Enhanced Stability of the Higher-Energy Conformer J. Chem. Phys. 2010, 133 144507
    • (2010) J. Chem. Phys. , vol.133 , pp. 144507
    • Lopes, S.1    Domanskaya, A.V.2    Fausto, R.3    Räsänen, M.4    Khriachtchev, L.5
  • 65
    • 84872067360 scopus 로고    scopus 로고
    • Green Hydrothermal Synthesis of ZnO Nanotubes for Photocatalytic Degradation of Methylparaben
    • Lam, S.-M.; Sin, J.-C.; Abdullah, A. Z.; Mohamed, A. R. Green Hydrothermal Synthesis of ZnO Nanotubes for Photocatalytic Degradation of Methylparaben Mater. Lett. 2013, 93, 423-426
    • (2013) Mater. Lett. , vol.93 , pp. 423-426
    • Lam, S.-M.1    Sin, J.-C.2    Abdullah, A.Z.3    Mohamed, A.R.4
  • 68
    • 64049117143 scopus 로고    scopus 로고
    • Photocatalytic Degradation of Methylparaben by TiO2: Multivariable Experimental Design and Mechanism
    • Lin, Y.; Ferronato, C.; Deng, N.; Wu, F.; Chovelon, J.-M. Photocatalytic Degradation of Methylparaben by TiO2: Multivariable Experimental Design and Mechanism Appl. Catal., B 2009, 88, 32-41
    • (2009) Appl. Catal., B , vol.88 , pp. 32-41
    • Lin, Y.1    Ferronato, C.2    Deng, N.3    Wu, F.4    Chovelon, J.-M.5
  • 69
    • 0002207681 scopus 로고
    • Thermochemical Investigation of Possible Interactions between Urea and Some Sparingly Soluble Solutes in Aqueous Solution
    • Loh, W.; Beezer, A. E.; Mitchell, J. C. Thermochemical Investigation of Possible Interactions Between Urea and Some Sparingly Soluble Solutes in Aqueous Solution Thermochim. Acta 1995, 255, 83-91
    • (1995) Thermochim. Acta , vol.255 , pp. 83-91
    • Loh, W.1    Beezer, A.E.2    Mitchell, J.C.3
  • 70
    • 34548841399 scopus 로고    scopus 로고
    • FTIR Spectroscopic and Theoretical Study of the Photochemistry of Matrix-Isolated Coumarin
    • Kuş, N.; Breda, S.; Reva, I.; Tasal, E.; Ogretir, C.; Fausto, R. FTIR Spectroscopic and Theoretical Study of the Photochemistry of Matrix-Isolated Coumarin Photochem. Photobiol. 2007, 83, 1237-1253
    • (2007) Photochem. Photobiol. , vol.83 , pp. 1237-1253
    • Kuş, N.1    Breda, S.2    Reva, I.3    Tasal, E.4    Ogretir, C.5    Fausto, R.6
  • 71
    • 84887084536 scopus 로고    scopus 로고
    • 1541-1542.
  • 72
    • 17744388587 scopus 로고    scopus 로고
    • Photochemical α-Cleavage in Pyran-2-thione: Generation of Aldehyde-Thioketene and Thioaldehyde-Ketene Photoproducts
    • Breda, S.; Reva, I.; Lapinski, L.; Fausto, R. Photochemical α-Cleavage in Pyran-2-thione: Generation of Aldehyde-Thioketene and Thioaldehyde-Ketene Photoproducts ChemPhysChem 2005, 6, 602-604
    • (2005) ChemPhysChem , vol.6 , pp. 602-604
    • Breda, S.1    Reva, I.2    Lapinski, L.3    Fausto, R.4
  • 73
    • 24944524915 scopus 로고    scopus 로고
    • On the Pyrolysis Mechanism of 2-Pyranones and 2-Pyranthiones: Thermally Induced Ground Electronic State Chemistry of Pyran-2-thione
    • Reva, I. D.; Breda, S.; Roseiro, T.; Eusébio, E.; Fausto, R. On the Pyrolysis Mechanism of 2-Pyranones and 2-Pyranthiones: Thermally Induced Ground Electronic State Chemistry of Pyran-2-thione J. Org. Chem. 2005, 70, 7701-7710
    • (2005) J. Org. Chem. , vol.70 , pp. 7701-7710
    • Reva, I.D.1    Breda, S.2    Roseiro, T.3    Eusébio, E.4    Fausto, R.5
  • 74
    • 84155172943 scopus 로고    scopus 로고
    • In Situ Photoproduction of Dichlorodibenzo-p-Dioxin from Non-Ionic Triclosan Isolated in Solid Argon
    • Kuş, N.; Reva, I.; Bayari, S.; Fausto, R. In Situ Photoproduction of Dichlorodibenzo-p-Dioxin from Non-Ionic Triclosan Isolated in Solid Argon J. Mol. Struct. 2012, 1007, 88-94
    • (2012) J. Mol. Struct. , vol.1007 , pp. 88-94
    • Kuş, N.1    Reva, I.2    Bayari, S.3    Fausto, R.4
  • 75
    • 84885461216 scopus 로고    scopus 로고
    • version 3.0; Gaussian, Inc. Pittsburgh, PA (2002-2003 Semichem, Inc)
    • GaussView, version 3.0; Gaussian, Inc.: Pittsburgh, PA (2002-2003 Semichem, Inc).
    • GaussView
  • 76
    • 33947300343 scopus 로고
    • Stereoselective Photochemical Electrocyclic Valence Isomerizations of α-Phellandrene Conformational Isomers
    • Baldwin, J. E.; Krueger, S. M. Stereoselective Photochemical Electrocyclic Valence Isomerizations of α-Phellandrene Conformational Isomers J. Am. Chem. Soc. 1969, 91, 6444-6447
    • (1969) J. Am. Chem. Soc. , vol.91 , pp. 6444-6447
    • Baldwin, J.E.1    Krueger, S.M.2
  • 77
    • 79955532007 scopus 로고    scopus 로고
    • Comparative Matrix Isolation Infrared Spectroscopy Study of 1,3- and 1,4-Diene Terpinenes (γ-Terpinene and α-Phellandrene)
    • Marzec, K. M.; Reva, I.; Fausto, R.; Proniewicz, L. M. Comparative Matrix Isolation Infrared Spectroscopy Study of 1,3- and 1,4-Diene Terpinenes (γ-Terpinene and α-Phellandrene) J. Phys. Chem. A 2011, 115, 4342-4353
    • (2011) J. Phys. Chem. A , vol.115 , pp. 4342-4353
    • Marzec, K.M.1    Reva, I.2    Fausto, R.3    Proniewicz, L.M.4
  • 79
    • 22744451135 scopus 로고    scopus 로고
    • Conformational Flexibility, UV-Induced Decarbonylation, and FTIR spectra of 1-Phenyl-1,2-Propanedione in Solid Xenon and in the Low Temperature Amorphous Phase
    • Lopes, S.; Gómez-Zavaglia, A.; Lapinski, L.; Fausto, R. Conformational Flexibility, UV-Induced Decarbonylation, and FTIR spectra of 1-Phenyl-1,2-Propanedione in Solid Xenon and in the Low Temperature Amorphous Phase J. Phys. Chem. A 2005, 109, 5560-5570
    • (2005) J. Phys. Chem. A , vol.109 , pp. 5560-5570
    • Lopes, S.1    Gómez-Zavaglia, A.2    Lapinski, L.3    Fausto, R.4
  • 80
    • 84866421146 scopus 로고    scopus 로고
    • Ultraviolet-Tunable Laser Induced Phototransformations of Matrix Isolated Isoeugenol and Eugenol
    • Krupa, J.; Olbert-Majkut, A.; Reva, I.; Fausto, R.; Wierzejewska, M. Ultraviolet-Tunable Laser Induced Phototransformations of Matrix Isolated Isoeugenol and Eugenol J. Phys. Chem. B 2012, 116, 11148-11158
    • (2012) J. Phys. Chem. B , vol.116 , pp. 11148-11158
    • Krupa, J.1    Olbert-Majkut, A.2    Reva, I.3    Fausto, R.4    Wierzejewska, M.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.