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Volumn 114, Issue 23, 2010, Pages 7909-7919

Experimental and Computational Thermodynamic Study of Three Monofluoronitrobenzene Isomers

Author keywords

[No Author keywords available]

Indexed keywords

COMBUSTION; IONIZATION OF GASES; IONIZATION OF LIQUIDS; ISOMERS; MOLECULAR ORBITALS; OXYGEN; PHASE DIAGRAMS; STANDARDS; THERMODYNAMICS;

EID: 77953377649     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp102024y     Document Type: Article
Times cited : (21)

References (84)
  • 3
    • 0035962895 scopus 로고    scopus 로고
    • Synthesis of selectively deuterated nitrobenzene derivatives
    • Lemek, T.; Makosza, M.; Goliñski, J. Synthesis of selectively deuterated nitrobenzene derivatives Tetrahedron 2001, 57, 4753-4757
    • (2001) Tetrahedron , vol.57 , pp. 4753-4757
    • Lemek, T.1    Makosza, M.2    Goliñski, J.3
  • 4
    • 37249026646 scopus 로고    scopus 로고
    • Clean production of chloroanilines by selective gas phase hydrogenation over supported Ni catalysts
    • Cárdenas-Lizana, F.; Gómez-Quero, S.; Keane, M. A. Clean production of chloroanilines by selective gas phase hydrogenation over supported Ni catalysts Appl. Catal., A 2008, 334, 199-206
    • (2008) Appl. Catal., A , vol.334 , pp. 199-206
    • Cárdenas-Lizana, F.1    Gómez-Quero, S.2    Keane, M.A.3
  • 5
    • 0003930145 scopus 로고
    • Aromatic fluorine compounds. I. Preparation of p-fluoraniline by catalytic reduction of nitrobenzene in hydrogen fluoride
    • Fidler, D. A.; Logan, J. S.; Boudakian, M. M. Aromatic fluorine compounds. I. Preparation of p-fluoraniline by catalytic reduction of nitrobenzene in hydrogen fluoride J. Org. Chem. 1961, 26, 4014-4017
    • (1961) J. Org. Chem. , vol.26 , pp. 4014-4017
    • Fidler, D.A.1    Logan, J.S.2    Boudakian, M.M.3
  • 6
    • 0342657817 scopus 로고    scopus 로고
    • A solid phase traceless synthesis of quinoxalinones
    • Krchnák, V.; Szabo, L. M.; Vágner, J. A solid phase traceless synthesis of quinoxalinones Tetrahedron Lett. 2000, 41, 2835-2838
    • (2000) Tetrahedron Lett. , vol.41 , pp. 2835-2838
    • Krchnák, V.1    Szabo, L.M.2    Vágner, J.3
  • 7
    • 0035953011 scopus 로고    scopus 로고
    • A solid-phase traceless synthesis of tetrahydroquinoxalines
    • Krchnák, V.; Smith, J. M.; Vágner, J. A solid-phase traceless synthesis of tetrahydroquinoxalines Tetrahedron Lett. 2001, 42, 2443-2446
    • (2001) Tetrahedron Lett. , vol.42 , pp. 2443-2446
    • Krchnák, V.1    Smith, J.M.2    Vágner, J.3
  • 8
    • 0942291467 scopus 로고    scopus 로고
    • Aromatic amines from azo dye reduction: Status review with emphasis on direct UV spectrophotometric detection in textile industry wastewaters
    • Pinheiro, H. M.; Touraud, E.; Thomas, O. Aromatic amines from azo dye reduction: Status review with emphasis on direct UV spectrophotometric detection in textile industry wastewaters Dyes Pigm. 2004, 61, 121-139
    • (2004) Dyes Pigm. , vol.61 , pp. 121-139
    • Pinheiro, H.M.1    Touraud, E.2    Thomas, O.3
  • 9
    • 2942754145 scopus 로고    scopus 로고
    • Facile synthesis of azo compounds from aromatic nitro compounds using magnesium and triethylammonium formate
    • Srinivasa, G. R.; Abiraj, K.; Gowda, D C. Facile synthesis of azo compounds from aromatic nitro compounds using magnesium and triethylammonium formate Aus. J. Chem. 2004, 57, 609-610
    • (2004) Aus. J. Chem. , vol.57 , pp. 609-610
    • Srinivasa, G.R.1    Abiraj, K.2    Gowda, D.C.3
  • 10
    • 34447631346 scopus 로고    scopus 로고
    • Temperature and pH effect on the microbial reductive transformation of pentachloronitrobenzene
    • Tas, D. O.; Pavlostathis, S. G. Temperature and pH effect on the microbial reductive transformation of pentachloronitrobenzene J. Agric. Food Chem. 2007, 55, 5390-5398
    • (2007) J. Agric. Food Chem. , vol.55 , pp. 5390-5398
    • Tas, D.O.1    Pavlostathis, S.G.2
  • 11
    • 0017183859 scopus 로고
    • Metabolism of the fungicide 2,6-dichloro-4-nitroaniline in soil
    • Van Alfen, N. K.; Kosuge, T. Metabolism of the fungicide 2,6-dichloro-4-nitroaniline in soil J. Agric. Food Chem. 1976, 24, 584-588
    • (1976) J. Agric. Food Chem. , vol.24 , pp. 584-588
    • Van Alfen, N.K.1    Kosuge, T.2
  • 12
    • 0015673678 scopus 로고
    • Effect of soil treatments on losses of two chloronitrobenzene fungicides
    • Wang, C. H.; Broadbent, F. E. Effect of soil treatments on losses of two chloronitrobenzene fungicides J. Environ. Qual. 1973, 2, 511-515
    • (1973) J. Environ. Qual. , vol.2 , pp. 511-515
    • Wang, C.H.1    Broadbent, F.E.2
  • 13
    • 0037150397 scopus 로고    scopus 로고
    • Processing characteristics and physicomechanical properties of natural rubber and liquid natural rubber blends
    • Okieimen, F. E.; Akinlabi, A. K. Processing characteristics and physicomechanical properties of natural rubber and liquid natural rubber blends J. Appl. Polym. Sci. 2002, 85, 1070-1076
    • (2002) J. Appl. Polym. Sci. , vol.85 , pp. 1070-1076
    • Okieimen, F.E.1    Akinlabi, A.K.2
  • 14
    • 38149016915 scopus 로고    scopus 로고
    • Understanding organofluorine chemistry. An introduction to the C-F bond
    • O'Hagan, D. Understanding organofluorine chemistry. An introduction to the C-F bond Chem. Soc. Rev. 2008, 37, 308-319
    • (2008) Chem. Soc. Rev. , vol.37 , pp. 308-319
    • O'Hagan, D.1
  • 16
    • 0037103061 scopus 로고    scopus 로고
    • Synthesis and characterization of novel soluble triphenylamine-containing aromatic polyamides based on N, N '-bis(4-aminophenyl)-N, N '-diphenyl-1,4-phenylenediamine
    • Liou, G.; Hsiao, S.; Ishida, M.; Kakimoto, M.; Imai, Y. Synthesis and characterization of novel soluble triphenylamine-containing aromatic polyamides based on N, N '-bis(4-aminophenyl)-N, N '-diphenyl-1,4-phenylenediamine J. Polym. Sci., Part A: Polym. Chem. 2002, 40, 2810-2818
    • (2002) J. Polym. Sci., Part A: Polym. Chem. , vol.40 , pp. 2810-2818
    • Liou, G.1    Hsiao, S.2    Ishida, M.3    Kakimoto, M.4    Imai, Y.5
  • 17
    • 33747178146 scopus 로고    scopus 로고
    • Novel aromatic polyamides and polyimides functionalized with 4-tert-butyltriphenylamine groups
    • Hsiao, S.; Chang, Y.; Chen, H.; Liou, G. Novel aromatic polyamides and polyimides functionalized with 4-tert-butyltriphenylamine groups J. Polym. Sci., Part A: Polym. Chem. 2006, 44, 4579-4592
    • (2006) J. Polym. Sci., Part A: Polym. Chem. , vol.44 , pp. 4579-4592
    • Hsiao, S.1    Chang, Y.2    Chen, H.3    Liou, G.4
  • 18
    • 0037018985 scopus 로고    scopus 로고
    • High glass transitions of new polyamides, polyimides, and poly(amide-imide)s containing a triphenylamine group: Synthesis and characterization
    • Liaw, D.; Hsu, P.; Chen, W.; Lin, S. High glass transitions of new polyamides, polyimides, and poly(amide-imide)s containing a triphenylamine group: Synthesis and characterization Macromolecules 2002, 35, 4669-4676
    • (2002) Macromolecules , vol.35 , pp. 4669-4676
    • Liaw, D.1    Hsu, P.2    Chen, W.3    Lin, S.4
  • 19
    • 13244289768 scopus 로고    scopus 로고
    • Novel aromatic poly(amine-imide)s bearing a pendent triphenylamine group: Synthesis, thermal, photophysical, electrochemical, and electrochromic characteristics
    • Cheng, S.; Hsiao, S.; Su, T.; Liou, G. Novel aromatic poly(amine-imide)s bearing a pendent triphenylamine group: Synthesis, thermal, photophysical, electrochemical, and electrochromic characteristics Macromolecules 2005, 38, 307-316
    • (2005) Macromolecules , vol.38 , pp. 307-316
    • Cheng, S.1    Hsiao, S.2    Su, T.3    Liou, G.4
  • 20
    • 33847412680 scopus 로고    scopus 로고
    • Highly stable anodic green electrochromic aromatic polyamides: Synthesis and electrochromic properties
    • DOI 10.1039/b613140a
    • Chang, C.; Liou, G.; Hsiao, S. Highly stable anodic green electrochromic aromatic polyamides: Synthesis and electrochromic properties J. Mater. Chem. 2007, 17, 1007-1015 (Pubitemid 46339457)
    • (2007) Journal of Materials Chemistry , vol.17 , Issue.10 , pp. 1007-1015
    • Chang, C.-W.1    Liou, G.-S.2    Hsiao, S.-H.3
  • 21
    • 0033214922 scopus 로고    scopus 로고
    • Liquid-phase synthesis of 2-(alkylthio)benzimidazoles
    • Yeh, C.; Sun, C. Liquid-phase synthesis of 2-(alkylthio)benzimidazoles Tetrahedron Lett. 1999, 40, 7247-7250
    • (1999) Tetrahedron Lett. , vol.40 , pp. 7247-7250
    • Yeh, C.1    Sun, C.2
  • 22
    • 0033595867 scopus 로고    scopus 로고
    • A solid phase traceless synthesis of benzimidazoles with three combinatorial steps
    • Smith, J. M.; Krchnak, V. A solid phase traceless synthesis of benzimidazoles with three combinatorial steps Tetrahedron Lett. 1999, 40, 7633-7636
    • (1999) Tetrahedron Lett. , vol.40 , pp. 7633-7636
    • Smith, J.M.1    Krchnak, V.2
  • 23
    • 0035951929 scopus 로고    scopus 로고
    • A solid phase traceless synthesis of 2-arylaminobenzimidazoles
    • Krchnak, V.; Smith, J. M.; Vágner, J. A solid phase traceless synthesis of 2-arylaminobenzimidazoles Tetrahedron Lett. 2001, 42, 1627-1630
    • (2001) Tetrahedron Lett. , vol.42 , pp. 1627-1630
    • Krchnak, V.1    Smith, J.M.2    Vágner, J.3
  • 24
    • 0034622308 scopus 로고    scopus 로고
    • Practical synthesis of 1,3-diaryl-5-alkylpyrazoles by a highly regioselective N-arylation of 3,5-disubstituted pyrazoles with 4-fluoronitrobenzene
    • Wang, X.; Tan, J.; Grozinger, K.; Betageri, R.; Kirraneb, T.; Proudfoot, J. R. Practical synthesis of 1,3-diaryl-5-alkylpyrazoles by a highly regioselective N-arylation of 3,5-disubstituted pyrazoles with 4-fluoronitrobenzene Tetrahedron Lett. 2000, 41, 5321-5324
    • (2000) Tetrahedron Lett. , vol.41 , pp. 5321-5324
    • Wang, X.1    Tan, J.2    Grozinger, K.3    Betageri, R.4    Kirraneb, T.5    Proudfoot, J.R.6
  • 25
    • 33947392598 scopus 로고    scopus 로고
    • Combined experimental and computational study of the thermochemistry of the fluoroaniline isomers
    • Ribeiro da Silva, M. A. V.; Lobo Ferreira, A. I. M. C.; Gomes, J. R. B. Combined experimental and computational study of the thermochemistry of the fluoroaniline isomers J. Phys. Chem. B 2007, 111, 2052-2061
    • (2007) J. Phys. Chem. B , vol.111 , pp. 2052-2061
    • Ribeiro Da Silva, M.A.V.1    Lobo Ferreira, A.I.M.C.2    Gomes, J.R.B.3
  • 27
    • 22944448963 scopus 로고    scopus 로고
    • Experimental and computational investigation of the energetics of the three isomers of monochloroaniline
    • Ribeiro da Silva, M. A. V.; Lobo Ferreira, A. I. M. C.; Gomes, J. R. B. Experimental and computational investigation of the energetics of the three isomers of monochloroaniline J. Phys. Chem. B 2005, 109, 13356-13362
    • (2005) J. Phys. Chem. B , vol.109 , pp. 13356-13362
    • Ribeiro Da Silva, M.A.V.1    Lobo Ferreira, A.I.M.C.2    Gomes, J.R.B.3
  • 33
    • 70349679116 scopus 로고    scopus 로고
    • Experimental and computational thermochemical study of the three monofluorophenol isomers
    • Ribeiro da Silva, M. A. V.; Lobo Ferreira, A. I. M. C. Experimental and computational thermochemical study of the three monofluorophenol isomers J. Chem. Eng. Data 2009, 54, 2517-2526
    • (2009) J. Chem. Eng. Data , vol.54 , pp. 2517-2526
    • Ribeiro Da Silva, M.A.V.1    Lobo Ferreira, A.I.M.C.2
  • 35
    • 33645523809 scopus 로고    scopus 로고
    • New static apparatus and vapor pressure of reference materials: Naphthalene, benzoic acid, benzophenone, and ferrocene
    • Monte, M. J. S.; Santos, L. M. N. B. F.; Fulem, M.; Fonseca, J. M. S.; Sousa, C. A. D. New static apparatus and vapor pressure of reference materials: naphthalene, benzoic acid, benzophenone, and ferrocene J. Chem. Eng. Data 2006, 51, 757-766
    • (2006) J. Chem. Eng. Data , vol.51 , pp. 757-766
    • Monte, M.J.S.1    Santos, L.M.N.B.F.2    Fulem, M.3    Fonseca, J.M.S.4    Sousa, C.A.D.5
  • 37
    • 70349703845 scopus 로고
    • Basic principles of combustion calorimetry. in
    • Eds.; Pergamon: Oxford,; Vol., pp-34
    • Sunner, S. Basic principles of combustion calorimetry. In Experimental Chemical Thermodynamics; Sunner, S.; MÃnsson, M., Eds.; Pergamon: Oxford, 1979; Vol. 1, pp 14-34.
    • (1979) Experimental Chemical Thermodynamics , vol.1 , pp. 14
    • Sunner, S.1    Sunner, S.2    Mãnsson, M.3
  • 38
    • 77953426591 scopus 로고
    • Graduation Thesis, Faculty of Science, University of Porto
    • Vale, M. L. C. Graduation Thesis, Faculty of Science, University of Porto, 1989.
    • (1989)
    • Vale, M.L.C.1
  • 39
    • 77953467014 scopus 로고
    • M.Sc. Thesis, Faculty of Science, University of Porto
    • Silva, A. M. R. O. A. M.Sc. Thesis, Faculty of Science, University of Porto, 1993.
    • (1993)
    • Silva, A.M.R.O.A.1
  • 40
    • 0042473208 scopus 로고    scopus 로고
    • Standard molar enthalpies of formation, vapour pressures, and enthalpies of sublimation of 2-chloro-4-nitroaniline and 2-chloro-5-nitroaniline
    • Ribeiro da Silva, M. A. V.; Lima, L. M. S. S.; Amaral, L. M. P. F.; Lobo Ferreira, A. I. M. C.; Gomes, J. R. B. Standard molar enthalpies of formation, vapour pressures, and enthalpies of sublimation of 2-chloro-4-nitroaniline and 2-chloro-5-nitroaniline J. Chem. Thermodyn. 2003, 35, 1343-1359
    • (2003) J. Chem. Thermodyn. , vol.35 , pp. 1343-1359
    • Ribeiro Da Silva, M.A.V.1    Lima, L.M.S.S.2    Amaral, L.M.P.F.3    Lobo Ferreira, A.I.M.C.4    Gomes, J.R.B.5
  • 41
    • 77953444206 scopus 로고
    • Ph.D. Thesis, University of Porto
    • Santos, L. M. N. B. F. Ph.D. Thesis, University of Porto, 1995.
    • (1995)
    • Santos, L.M.N.B.F.1
  • 42
    • 33947416877 scopus 로고
    • Combustion calorimetry of organic fluorine compounds by a rotating-bomb method
    • Good, W. D.; Scott, D. W.; Waddington, G. Combustion calorimetry of organic fluorine compounds by a rotating-bomb method J. Phys. Chem. 1956, 60, 1080-1089
    • (1956) J. Phys. Chem. , vol.60 , pp. 1080-1089
    • Good, W.D.1    Scott, D.W.2    Waddington, G.3
  • 44
    • 0037618693 scopus 로고
    • Calibration of calorimeters for reactions in a bomb at constant volume. in
    • Ed.; Interscience: New York,; Vol., pp-58
    • Coops, J.; Jessup, R. S.; Van Nes, K. Calibration of calorimeters for reactions in a bomb at constant volume. In Experimental Thermochemistry; Rossini, F. D., Ed.; Interscience: New York, 1956; Vol. 1, pp 27-58.
    • (1956) Experimental Thermochemistry , vol.1 , pp. 27
    • Coops, J.1    Jessup, R.S.2    Van Nes, K.3    Rossini, F.D.4
  • 45
    • 77953375519 scopus 로고    scopus 로고
    • University of Porto. Private communication
    • Oliveira, J. F. R. C., University of Porto. Private communication, 2008.
    • (2008)
    • Oliveira, J.F.R.C.1
  • 47
    • 33750896653 scopus 로고    scopus 로고
    • Atomic weights of the elements 2005 (IUPAC Technical Report)
    • Wieser, M. E. Atomic weights of the elements 2005 (IUPAC Technical Report) Pure Appl. Chem. 2006, 78, 2051-2066
    • (2006) Pure Appl. Chem. , vol.78 , pp. 2051-2066
    • Wieser, M.E.1
  • 50
    • 33947376767 scopus 로고
    • Combustion in a bomb of organic fluorine compounds. in
    • Ed.; Interscience: New York,; Vol., pp-39
    • Good, W. D.; Scott, D. W. Combustion in a bomb of organic fluorine compounds. In Experimental Thermochemistry; Skinner, H. A., Ed.; Interscience: New York, 1962; Vol. 2, pp 15-39.
    • (1962) Experimental Thermochemistry , vol.2 , pp. 15
    • Good, W.D.1    Scott, D.W.2    Skinner, H.A.3
  • 51
    • 0003075914 scopus 로고
    • Standard states and corrections for combustions in a bomb at constant volume
    • In;, Ed.; Interscience: New York,; Vol., pp-128
    • Hubbard, W. N.; Scott, D. W.; Waddington, G. Standard states and corrections for combustions in a bomb at constant volume. In Experimental Thermochemistry; Rossini, F. D., Ed.; Interscience: New York, 1956; Vol. 1, pp 75-128.
    • (1956) Experimental Thermochemistry , vol.1 , pp. 75
    • Hubbard, W.N.1    Scott, D.W.2    Waddington, G.3    Rossini, F.D.4
  • 52
    • 0000877293 scopus 로고
    • Thermodynamic properties of fluorine compounds. Part 1. Heats of combustion of p-fluorobenzoic acid, pentafluorobenzoic acid, hexafluorobenzene and decafluorocyclohexene
    • Cox, J. D.; Gundry, H. A.; Head, A. J. Thermodynamic properties of fluorine compounds. Part 1. Heats of combustion of p-fluorobenzoic acid, pentafluorobenzoic acid, hexafluorobenzene and decafluorocyclohexene Trans. Faraday Soc. 1964, 60, 653-665
    • (1964) Trans. Faraday Soc. , vol.60 , pp. 653-665
    • Cox, J.D.1    Gundry, H.A.2    Head, A.J.3
  • 56
    • 0000543185 scopus 로고    scopus 로고
    • Gaussian-3 theory using density functional geometries and zero-point energies
    • Baboul, A. G.; Curtiss, L. A.; Redfern, P. C.; Raghavachari, K. Gaussian-3 theory using density functional geometries and zero-point energies J. Chem. Phys. 1999, 110, 7650-7657
    • (1999) J. Chem. Phys. , vol.110 , pp. 7650-7657
    • Baboul, A.G.1    Curtiss, L.A.2    Redfern, P.C.3    Raghavachari, K.4
  • 58
    • 0000189651 scopus 로고
    • Density-functional thermochemistry. III. The role of exact exchange
    • Becke, A. D. Density-functional thermochemistry. III. The role of exact exchange J. Chem. Phys. 1993, 98, 5648-5652
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
    • Becke, A.D.1
  • 59
    • 33751157732 scopus 로고
    • Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields
    • Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields J. Phys. Chem. 1994, 98, 11623-11627
    • (1994) J. Phys. Chem. , vol.98 , pp. 11623-11627
    • Stephens, P.J.1    Devlin, F.J.2    Chabalowski, C.F.3    Frisch, M.J.4
  • 60
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
    • Lee, C.; Yang, W.; 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.1    Yang, W.2    Parr, R.G.3
  • 63
    • 0039021077 scopus 로고
    • The enthalpies of solution and neutralization of HF(l); Enthalpies of dilution and derived thermodynamic properties of HF(aq)
    • Johnson, G. K.; Smith, P. N.; Hubbard, W. N. The enthalpies of solution and neutralization of HF(l); Enthalpies of dilution and derived thermodynamic properties of HF(aq) J. Chem. Thermodyn. 1973, 5, 793-809
    • (1973) J. Chem. Thermodyn. , vol.5 , pp. 793-809
    • Johnson, G.K.1    Smith, P.N.2    Hubbard, W.N.3
  • 64
    • 0002754020 scopus 로고
    • Assignment of uncertainties to thermochemical data
    • In;, Ed.; Interscience: New York,; Vol., pp-320
    • Rossini, F. D. Assignment of uncertainties to thermochemical data. In Experimental Thermochemistry; Rossini, F. D., Ed.; Interscience: New York, 1956; Vol. 1, pp 297-320.
    • (1956) Experimental Thermochemistry , vol.1 , pp. 297
    • Rossini, F.D.1    Rossini, F.D.2
  • 66
    • 37049134396 scopus 로고
    • Evaluation of thermodynamic functions from equilibrium constants
    • Clarke, E. C. W.; Glew, D. N. Evaluation of thermodynamic functions from equilibrium constants Trans. Faraday Soc. 1966, 62, 539-547
    • (1966) Trans. Faraday Soc. , vol.62 , pp. 539-547
    • Clarke, E.C.W.1    Glew, D.N.2
  • 67
    • 75449096612 scopus 로고    scopus 로고
    • Thermodynamic study on the sublimation of five aminomethoxybenzoic acids
    • Monte, M. J. S.; Almeida, A. R. R. P.; Matos, M. A. R. Thermodynamic study on the sublimation of five aminomethoxybenzoic acids J. Chem. Eng. Data 2010, 55, 419-423
    • (2010) J. Chem. Eng. Data , vol.55 , pp. 419-423
    • Monte, M.J.S.1    Almeida, A.R.R.P.2    Matos, M.A.R.3
  • 68
    • 34250082503 scopus 로고
    • Heat capacity corrections to a standard state: A comparison of new and some literature methods for organic liquids and solids
    • Chickos, J. S.; Hosseini, S.; Hesse, D. G.; Liebman, J. F. Heat capacity corrections to a standard state: A comparison of new and some literature methods for organic liquids and solids Struct. Chem. 1993, 4, 271-278
    • (1993) Struct. Chem. , vol.4 , pp. 271-278
    • Chickos, J.S.1    Hosseini, S.2    Hesse, D.G.3    Liebman, J.F.4
  • 69
    • 71249129138 scopus 로고
    • Estimation of the thermodynamic properties of C-H-N-O-S-halogen compounds at 298.15 K
    • Domalski, E. S.; Hearing, E. D. Estimation of the thermodynamic properties of C-H-N-O-S-halogen compounds at 298.15 K J. Phys. Chem. Ref. Data 1993, 22, 805-1159
    • (1993) J. Phys. Chem. Ref. Data , vol.22 , pp. 805-1159
    • Domalski, E.S.1    Hearing, E.D.2
  • 70
    • 11744252033 scopus 로고
    • Additivity rules for the estimation of molecular properties. Thermodynamic properties
    • Benson, S. W.; Buss, J. H. Additivity rules for the estimation of molecular properties. Thermodynamic properties J. Chem. Phys. 1958, 29, 546-572
    • (1958) J. Chem. Phys. , vol.29 , pp. 546-572
    • Benson, S.W.1    Buss, J.H.2
  • 72
    • 0042729359 scopus 로고
    • Appearance of two intramolecular charge transfer absorptions observed with some disubstituted benzenes
    • Tanaka, J.; Nagakura, S. Appearance of two intramolecular charge transfer absorptions observed with some disubstituted benzenes J. Chem. Phys. 1956, 24, 1274-1275
    • (1956) J. Chem. Phys. , vol.24 , pp. 1274-1275
    • Tanaka, J.1    Nagakura, S.2
  • 74
    • 0033575204 scopus 로고    scopus 로고
    • 2 in nitroaromatics: Nitrobenzene o-monofluoro-and o, o '-difluoro-nitrobenzenes
    • 2 in nitroaromatics: Nitrobenzene o-monofluoro-and o, o '-difluoro-nitrobenzenes THEOCHEM 1999, 467, 181-186
    • (1999) THEOCHEM , vol.467 , pp. 181-186
    • Staikova, M.1    Csizmadia, I.G.2
  • 75
    • 53949095863 scopus 로고    scopus 로고
    • Substituent effect on electronic structures of halonitrobenzenes
    • Ge, M.; Yao, L. Substituent effect on electronic structures of halonitrobenzenes Spectrochim. Acta 2008, A71, 1499-1502
    • (2008) Spectrochim. Acta , vol.71 , pp. 1499-1502
    • Ge, M.1    Yao, L.2
  • 76
    • 0001839083 scopus 로고
    • Equilibrium configuration and barriers of four fluorine substituted nitrobenzenes, obtained by microwave spectroscopy
    • Correll, T.; Larsen, N. W.; Pedersen, T. Equilibrium configuration and barriers of four fluorine substituted nitrobenzenes, obtained by microwave spectroscopy J. Mol. Struct. 1980, 65, 43-49
    • (1980) J. Mol. Struct. , vol.65 , pp. 43-49
    • Correll, T.1    Larsen, N.W.2    Pedersen, T.3
  • 77
    • 1642496891 scopus 로고    scopus 로고
    • Molecular structure of ortho-fluoronitrobenzene studied by gas electron diffraction and ab initio MO calculations
    • Shishkov, I. F.; Khristenko, L. V.; Vilkov, L. V.; Samdal, S.; Gundersen, S. Molecular structure of ortho-fluoronitrobenzene studied by gas electron diffraction and ab initio MO calculations Struct. Chem. 2003, 14, 151-157
    • (2003) Struct. Chem. , vol.14 , pp. 151-157
    • Shishkov, I.F.1    Khristenko, L.V.2    Vilkov, L.V.3    Samdal, S.4    Gundersen, S.5
  • 78
    • 1642454224 scopus 로고
    • Electronographic study of structure of molecule of o-chloronitrobenzene in gaseous phase
    • Batyukhnova, O. G.; Sadova, N. I.; Vilkov, L. V.; Pankrushev, Yu. A. Electronographic study of structure of molecule of o-chloronitrobenzene in gaseous phase Zh. Struct. Khim. 1985, 26, 175-178
    • (1985) Zh. Struct. Khim. , vol.26 , pp. 175-178
    • Batyukhnova, O.G.1    Sadova, N.I.2    Vilkov, L.V.3    Pankrushev, Yu.A.4
  • 79
    • 0010622795 scopus 로고
    • Electron-diffraction investigation of the structure of o-bromonitrobenzene, m-bromonitrobenzene, and 2,6-dinitrobromobenzene molecules in the gas phase
    • Batyukhnova, O. G.; Sadova, N. I.; Syshchikov, Yu. N.; Vilkov, L. V.; Pankrushev, Yu. A. Electron-diffraction investigation of the structure of o-bromonitrobenzene, m-bromonitrobenzene, and 2,6-dinitrobromobenzene molecules in the gas phase Zh. Struct. Khim. 1988, 29, 53-63
    • (1988) Zh. Struct. Khim. , vol.29 , pp. 53-63
    • Batyukhnova, O.G.1    Sadova, N.I.2    Syshchikov, Yu.N.3    Vilkov, L.V.4    Pankrushev, Yu.A.5
  • 80
    • 0001366851 scopus 로고
    • The molecular structure of ortho-and meta-iodonitrobenzene in the gaseous state as determined by the electron diffraction method. General trends in the bond lengths and STO-3G* ab initio calculations on iodonitrobenzenes
    • Samdal, S.; Vilkov, L. V.; Volden, H. V. The molecular structure of ortho-and meta-iodonitrobenzene in the gaseous state as determined by the electron diffraction method. General trends in the bond lengths and STO-3G* ab initio calculations on iodonitrobenzenes Acta Chem. Scand. 1992, 42, 712-719
    • (1992) Acta Chem. Scand. , vol.42 , pp. 712-719
    • Samdal, S.1    Vilkov, L.V.2    Volden, H.V.3
  • 81
    • 1942489217 scopus 로고    scopus 로고
    • Electron diffraction study of meta-and para-fluoronitrobenzene using results from quantum chemical calculations. Trends in the carbon-halogen bond length found in ortho-, meta-and para-halonitrobenzenes (Halo = F, Cl, Br, I)
    • Shishkov, I. F.; Khristenko, L. V.; Samdal, S.; Gundersen, S.; Volden, H. V.; Vilkov, L. V. Electron diffraction study of meta-and para- fluoronitrobenzene using results from quantum chemical calculations. Trends in the carbon-halogen bond length found in ortho-, meta-and para-halonitrobenzenes (Halo = F, Cl, Br, I) J. Mol. Struct. 2004, 693, 133-140
    • (2004) J. Mol. Struct. , vol.693 , pp. 133-140
    • Shishkov, I.F.1    Khristenko, L.V.2    Samdal, S.3    Gundersen, S.4    Volden, H.V.5    Vilkov, L.V.6
  • 82
    • 0000626886 scopus 로고    scopus 로고
    • NIST-JANAF Thermochemical Tables, Fourth Edition, Monograph 9
    • Chase, M. W., Jr. NIST-JANAF Thermochemical Tables, Fourth Edition, Monograph 9 J. Phys. Chem. Ref. Data, 1998
    • (1998) J. Phys. Chem. Ref. Data
    • Chase Jr., M.W.1
  • 84
    • 0343383284 scopus 로고
    • The electronic structure of substituted benzenes; Ab initio calculations and photoelectron spectra for nitrobenzene, the nitrotoluenes, dinitrobenzenes and fluoronitrobenzenes
    • Palmer, M. H.; Moyes, W.; Spiers, M.; Neil, J.; Ridyard, A. The electronic structure of substituted benzenes; Ab initio calculations and photoelectron spectra for nitrobenzene, the nitrotoluenes, dinitrobenzenes and fluoronitrobenzenes J. Mol. Struct. 1979, 55, 243-263
    • (1979) J. Mol. Struct. , vol.55 , pp. 243-263
    • Palmer, M.H.1    Moyes, W.2    Spiers, M.3    Neil, J.4    Ridyard, A.5


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