메뉴 건너뛰기




Volumn 996, Issue , 2012, Pages 68-75

Hydrogen bond studies in substituted imino-acetaldehyde oxime

Author keywords

AIM; Electron delocalization; HOMA; Hydrogen bond strength; Imino acetaldehyde oxime

Indexed keywords


EID: 84865417909     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2012.07.017     Document Type: Article
Times cited : (38)

References (32)
  • 1
    • 0032517382 scopus 로고    scopus 로고
    • Competition between rotamerization and proton transfer in o-hydroxybenzaldehyde
    • Cuma M., Scheiner S., Kar T. Competition between rotamerization and proton transfer in o-hydroxybenzaldehyde. J. Am. Chem. Soc. 1998, 120:10497-10503.
    • (1998) J. Am. Chem. Soc. , vol.120 , pp. 10497-10503
    • Cuma, M.1    Scheiner, S.2    Kar, T.3
  • 2
    • 84856728088 scopus 로고    scopus 로고
    • Conformational study of the (z)-[(2-iminoethylidone)silyl]amine at the MP2, DFT and G2MP2 levels
    • Raissi H., Yoosefian M., Khoshkhou S. Conformational study of the (z)-[(2-iminoethylidone)silyl]amine at the MP2, DFT and G2MP2 levels. J. Comput. Theor. Chem. 2012, 983:1-6.
    • (2012) J. Comput. Theor. Chem. , vol.983 , pp. 1-6
    • Raissi, H.1    Yoosefian, M.2    Khoshkhou, S.3
  • 3
    • 84555174861 scopus 로고    scopus 로고
    • Ab initio and DFT computational studies on molecular conformations and strength of the intramolecular hydrogen bond in different conformers of 3-amino-2-iminomethyl acryl aldehyde
    • Raissi H., Yoosefian M., Mollania F., Farzad F., Nowroozi A.R., Loghmaninejad D. Ab initio and DFT computational studies on molecular conformations and strength of the intramolecular hydrogen bond in different conformers of 3-amino-2-iminomethyl acryl aldehyde. J. Comput. Theor. Chem. 2011, 966:299-305.
    • (2011) J. Comput. Theor. Chem. , vol.966 , pp. 299-305
    • Raissi, H.1    Yoosefian, M.2    Mollania, F.3    Farzad, F.4    Nowroozi, A.R.5    Loghmaninejad, D.6
  • 4
    • 74549161682 scopus 로고    scopus 로고
    • Intramolecular hydrogen bonding in structural conformers of 2-amino methylene malonaldehyde, AIM and NBO studies
    • Raissi H., Jalbout A.F., Yoosefian M., Fazli M., Nowroozi A., Shahini M., Leon A. Intramolecular hydrogen bonding in structural conformers of 2-amino methylene malonaldehyde, AIM and NBO studies. Int. J. Quant. Chem. 2010, 110:821-830.
    • (2010) Int. J. Quant. Chem. , vol.110 , pp. 821-830
    • Raissi, H.1    Jalbout, A.F.2    Yoosefian, M.3    Fazli, M.4    Nowroozi, A.5    Shahini, M.6    Leon, A.7
  • 7
    • 80052092147 scopus 로고    scopus 로고
    • Subsituent effect on structure, electron density and intramolecular hydrogen bonding in nitroso-oxime methane
    • Yoosefian M., Raissi H., Nadim E.S., Farzad F., Fazli M., Karimzade E., Nowroozi A.R. Subsituent effect on structure, electron density and intramolecular hydrogen bonding in nitroso-oxime methane. Int. J. Quant. Chem. 2011, 111:3505-3516.
    • (2011) Int. J. Quant. Chem. , vol.111 , pp. 3505-3516
    • Yoosefian, M.1    Raissi, H.2    Nadim, E.S.3    Farzad, F.4    Fazli, M.5    Karimzade, E.6    Nowroozi, A.R.7
  • 8
    • 77955600650 scopus 로고    scopus 로고
    • Ab initio and DFT computational studies on molecular conformations and intramolecular hydrogen bonding in 3-mercapto-but-2-enethial
    • Nadim E.S., Raissi H., Yoosefian M., Farzad F., Nowroozi A.R. Ab initio and DFT computational studies on molecular conformations and intramolecular hydrogen bonding in 3-mercapto-but-2-enethial. J. Sulf. Chem. 2010, 31:275-285.
    • (2010) J. Sulf. Chem. , vol.31 , pp. 275-285
    • Nadim, E.S.1    Raissi, H.2    Yoosefian, M.3    Farzad, F.4    Nowroozi, A.R.5
  • 9
    • 70349297490 scopus 로고    scopus 로고
    • Analysis of intramolecular hydrogen bond in 3-hydroxy-propenthial (HPT)
    • Fazli M., Jalbout A.F., Raissi H., Yoosefian M. Analysis of intramolecular hydrogen bond in 3-hydroxy-propenthial (HPT). J. Theor. Comput. Chem. 2009, 8:713-732.
    • (2009) J. Theor. Comput. Chem. , vol.8 , pp. 713-732
    • Fazli, M.1    Jalbout, A.F.2    Raissi, H.3    Yoosefian, M.4
  • 10
    • 0034643911 scopus 로고    scopus 로고
    • Intramolecular hydrogen bonding and tautomerism in Schiff bases. Structure of N-(2-pyridil)-2-oxo-1-naphthylidene methylamine
    • Nazir H., Yildiz M., Yilmaz H., Tahir M.N., Ulku D. Intramolecular hydrogen bonding and tautomerism in Schiff bases. Structure of N-(2-pyridil)-2-oxo-1-naphthylidene methylamine. J. Mol. Struct. 2000, 524:241-250.
    • (2000) J. Mol. Struct. , vol.524 , pp. 241-250
    • Nazir, H.1    Yildiz, M.2    Yilmaz, H.3    Tahir, M.N.4    Ulku, D.5
  • 11
    • 0000081731 scopus 로고    scopus 로고
    • Mannich bases as model compounds for intramolecular hydrogen bonding II [1]. Structure and properties in solution
    • Koll A., Wolschann P. Mannich bases as model compounds for intramolecular hydrogen bonding II [1]. Structure and properties in solution. Monatsh. Chem. 1999, 130:983-1001.
    • (1999) Monatsh. Chem. , vol.130 , pp. 983-1001
    • Koll, A.1    Wolschann, P.2
  • 12
    • 84863727576 scopus 로고    scopus 로고
    • Comprehensive study of the interaction between hydrogen halides and methanol derivatives
    • doi:10.1002/qua.23298
    • H. Raissi, M. Yoosefian, F. Mollania, Comprehensive study of the interaction between hydrogen halides and methanol derivatives, Int. J. Quant. Chem. doi:10.1002/qua.23298.
    • Int. J. Quant. Chem.
    • Raissi, H.1    Yoosefian, M.2    Mollania, F.3
  • 13
    • 0002063943 scopus 로고    scopus 로고
    • Integrated intensity of νs(OH) absorption bands in bent hydrogen bonds in ortho-dialkylaminomethyl phenols
    • Filarowski A., Koll A. Integrated intensity of νs(OH) absorption bands in bent hydrogen bonds in ortho-dialkylaminomethyl phenols. Vib. Spectrosc. 1996, 12:15-24.
    • (1996) Vib. Spectrosc. , vol.12 , pp. 15-24
    • Filarowski, A.1    Koll, A.2
  • 14
    • 0036009281 scopus 로고    scopus 로고
    • Low barrier hydrogen bonds in sterically modified Schiff bases
    • Filarowski A., Koll A., Glowiak T. Low barrier hydrogen bonds in sterically modified Schiff bases. J. Chem. Soc. Perkin Trans. 2002, 2:835-842.
    • (2002) J. Chem. Soc. Perkin Trans. , vol.2 , pp. 835-842
    • Filarowski, A.1    Koll, A.2    Glowiak, T.3
  • 15
    • 0000465091 scopus 로고
    • Gas phase IR spectra of systems with intramolecular hydrogen bonds
    • Rutkowski K., Koll A. Gas phase IR spectra of systems with intramolecular hydrogen bonds. J. Mol. Struct. 1994, 322:195-203.
    • (1994) J. Mol. Struct. , vol.322 , pp. 195-203
    • Rutkowski, K.1    Koll, A.2
  • 16
    • 0034718630 scopus 로고    scopus 로고
    • Towards an unified hydrogen-bond theory
    • Gilli G., Gilli P. Towards an unified hydrogen-bond theory. J. Mol. Struct. 2000, 552:1-15.
    • (2000) J. Mol. Struct. , vol.552 , pp. 1-15
    • Gilli, G.1    Gilli, P.2
  • 17
    • 0031233124 scopus 로고    scopus 로고
    • Photoinduced generation of long-lived proton transfer states: photoinduced proton transfer from 2-(2',4'dinitrobenzyl)pyridine to a proton cage, the [2.1.1] cryptand
    • Kuldova K., Corval A., Trommsdorff H.P., Lehn J.M. Photoinduced generation of long-lived proton transfer states: photoinduced proton transfer from 2-(2',4'dinitrobenzyl)pyridine to a proton cage, the [2.1.1] cryptand. J. Phys. Chem. A 1997, 101:6850-6857.
    • (1997) J. Phys. Chem. A , vol.101 , pp. 6850-6857
    • Kuldova, K.1    Corval, A.2    Trommsdorff, H.P.3    Lehn, J.M.4
  • 18
    • 84961976226 scopus 로고    scopus 로고
    • Formaldehyde oxime⇌nitrosomethane tautomerism
    • Long J.A., Harris N.J., Lammertsma K. Formaldehyde oxime⇌nitrosomethane tautomerism. J. Org. Chem. 2001, 66:6762-6767.
    • (2001) J. Org. Chem. , vol.66 , pp. 6762-6767
    • Long, J.A.1    Harris, N.J.2    Lammertsma, K.3
  • 20
    • 11744305193 scopus 로고
    • Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations
    • Wolinski K., Hinton J.F., Pulay P. Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations. J. Am. Chem. Soc. 1990, 112:8251-8260.
    • (1990) J. Am. Chem. Soc. , vol.112 , pp. 8251-8260
    • Wolinski, K.1    Hinton, J.F.2    Pulay, P.3
  • 21
    • 84855616651 scopus 로고    scopus 로고
    • University of Applied Sciences, Bielefeld, Germany
    • Biegler-König F. AIM2000 2000, University of Applied Sciences, Bielefeld, Germany.
    • (2000) AIM2000
    • Biegler-König, F.1
  • 24
    • 0035969760 scopus 로고    scopus 로고
    • Ab initio calculations on conventional and unconventional hydrogen bonds-study of the hydrogen bond strength
    • Grabowski S.J. Ab initio calculations on conventional and unconventional hydrogen bonds-study of the hydrogen bond strength. J. Phys. Chem. A 2001, 105:10739-10746.
    • (2001) J. Phys. Chem. A , vol.105 , pp. 10739-10746
    • Grabowski, S.J.1
  • 25
    • 0001194642 scopus 로고    scopus 로고
    • Topological analysis of the electron density in hydrogen bonds
    • Espinosa E., Souhassou M., Lachekar H., Lecomte C. Topological analysis of the electron density in hydrogen bonds. Acta. Cryst. 1999, B55:563-572.
    • (1999) Acta. Cryst. , vol.B55 , pp. 563-572
    • Espinosa, E.1    Souhassou, M.2    Lachekar, H.3    Lecomte, C.4
  • 26
    • 0347858842 scopus 로고
    • Bonded and nonbonded charge concentrations and their relation to molecular geometry and reactivity
    • Bader R.F.W., Macdougall P.J., Lau C.D.H. Bonded and nonbonded charge concentrations and their relation to molecular geometry and reactivity. J. Am. Chem. Soc. 1984, 106:1594-1605.
    • (1984) J. Am. Chem. Soc. , vol.106 , pp. 1594-1605
    • Bader, R.F.W.1    Macdougall, P.J.2    Lau, C.D.H.3
  • 27
    • 57249097712 scopus 로고    scopus 로고
    • Properties of a ring critical point as measures of intramolecular H-bond strength
    • Grabowski S.J. Properties of a ring critical point as measures of intramolecular H-bond strength. Monatsh. Chem. 2002, 133:1373-1380.
    • (2002) Monatsh. Chem. , vol.133 , pp. 1373-1380
    • Grabowski, S.J.1
  • 28
    • 0003435922 scopus 로고    scopus 로고
    • Prentice-Hall pearson Education Limited, Englewood Cliffs, NJ
    • Popelier P. Atoms in Molecules. An Introduction 2000, Prentice-Hall pearson Education Limited, Englewood Cliffs, NJ.
    • (2000) Atoms in Molecules. An Introduction
    • Popelier, P.1
  • 29
    • 0000867708 scopus 로고
    • Definition of aromaticity basing on the harmonic oscillator model
    • Kruszewski J., Krygowski T.M. Definition of aromaticity basing on the harmonic oscillator model. Tetrahedron Lett. 1972, 13:3839-3842.
    • (1972) Tetrahedron Lett. , vol.13 , pp. 3839-3842
    • Kruszewski, J.1    Krygowski, T.M.2
  • 30
    • 27544510655 scopus 로고
    • Crystallographic studies of inter- and intramolecular interactions reflected in aromatic character of π-electron systems
    • Krygowski T.M. Crystallographic studies of inter- and intramolecular interactions reflected in aromatic character of π-electron systems. J. Chem. Inf. Comput. Sci. 1993, 33:70-78.
    • (1993) J. Chem. Inf. Comput. Sci. , vol.33 , pp. 70-78
    • Krygowski, T.M.1
  • 31
    • 4243664295 scopus 로고
    • A survey of hammett substituent constants and resonance and field parameters
    • Hansch C., Leo A., Taft R.W. A survey of hammett substituent constants and resonance and field parameters. Chem. Rev. 1991, 91:165-195.
    • (1991) Chem. Rev. , vol.91 , pp. 165-195
    • Hansch, C.1    Leo, A.2    Taft, R.W.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.