Molecular Geometry of Benzaldehyde and Salicylaldehyde:  A Gas-Phase Electron Diffraction and ab Initio Molecular Orbital Investigation

Konstantin B. Borisenko; Charles W. Bock; István Hargittai

doi:10.1021/jp953629a

Molecular Geometry of Benzaldehyde and Salicylaldehyde: A Gas-Phase Electron Diffraction and ab Initio Molecular Orbital Investigation

The Journal of Physical Chemistry ◽

10.1021/jp953629a ◽

1996 ◽

Vol 100 (18) ◽

pp. 7426-7434 ◽

Cited By ~ 81

Author(s):

Konstantin B. Borisenko ◽

Charles W. Bock ◽

István Hargittai

Keyword(s):

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Molecular Geometry ◽

Gas Phase Electron Diffraction

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Intramolecular Hydrogen Bonding and Molecular Geometry of 2-Nitrophenol from a Joint Gas-Phase Electron Diffraction and ab Initio Molecular Orbital Investigation

The Journal of Physical Chemistry ◽

10.1021/j100056a012 ◽

1994 ◽

Vol 98 (5) ◽

pp. 1442-1448 ◽

Cited By ~ 73

Author(s):

Konstantin B. Borisenko ◽

Charles W. Bock ◽

Istvan Hargittai

Keyword(s):

Hydrogen Bonding ◽

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Molecular Geometry ◽

Intramolecular Hydrogen Bonding ◽

Intramolecular Hydrogen ◽

Gas Phase Electron Diffraction

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N,N-Dimethylthioformamide andN,N-Dimethylthiocarbamoyl Chloride: Molecular Structure by Gas-Phase Electron Diffraction and ab Initio Molecular Orbital and Density Functional Theory Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp022419c ◽

2003 ◽

Vol 107 (23) ◽

pp. 4697-4706 ◽

Cited By ~ 4

Author(s):

Tore H. Johansen ◽

Kolbjørn Hagen

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Functional Theory ◽

Gas Phase Electron Diffraction

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Vinyl dichlorosilane and vinyl dibromosilane (H2CCH–SiHX2,X=Cl,Br): conformational structure and vibrational properties determined by gas-phase electron diffraction, ab initio molecular orbital calculations, and variable-temperature Raman spectroscopy

Journal of Molecular Structure ◽

10.1016/s0022-2860(00)00390-2 ◽

2000 ◽

Vol 550-551 ◽

pp. 257-279 ◽

Cited By ~ 9

Author(s):

T.H. Johansen ◽

K. Hagen ◽

K. Hassler ◽

A.D. Richardson ◽

U. Pätzold ◽

...

Keyword(s):

Raman Spectroscopy ◽

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Variable Temperature ◽

Vibrational Properties ◽

Molecular Orbital Calculations ◽

Conformational Structure ◽

Gas Phase Electron Diffraction

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Molecular Structure and Conformation of 1,1-Dichloro-2-propanone, CHCl2C(O)CH3, as Determined by Gas-Phase Electron Diffraction and ab Initio Molecular Orbital Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp020106b ◽

2002 ◽

Vol 106 (16) ◽

pp. 4263-4266 ◽

Cited By ~ 1

Author(s):

Kolbjørn Hagen ◽

Quang Shen ◽

Richard Carter ◽

Mike Marion

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Gas Phase Electron Diffraction

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Molecular structure of phenylsilane: a study by gas-phase electron diffraction and ab initio molecular orbital calculations

Journal of Organometallic Chemistry ◽

10.1016/s0022-328x(98)00487-2 ◽

1998 ◽

Vol 560 (1-2) ◽

pp. 183-190 ◽

Cited By ~ 9

Author(s):

Gustavo Portalone ◽

Fabio Ramondo ◽

Aldo Domenicano ◽

István Hargittai

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Gas Phase Electron Diffraction

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Structure and Conformation of Furfurylamine Determined by Gas-Phase Electron Diffraction, Microwave Spectroscopy Data, and ab Initio Molecular Orbital Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp992721u ◽

1999 ◽

Vol 103 (51) ◽

pp. 11460-11464 ◽

Cited By ~ 3

Author(s):

Kolbjørn Hagen ◽

Lasse Postmyr

Keyword(s):

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Microwave Spectroscopy ◽

Molecular Orbital Calculations ◽

Spectroscopy Data ◽

Gas Phase Electron Diffraction

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Intramolecular Hydrogen Bonding and Molecular Structure of 2,5-Dihydroxyterephthalaldehyde and 4,6-Dihydroxyisophthalaldehyde: A Gas-Phase Electron Diffraction and ab Initio Molecular Orbital Study

The Journal of Physical Chemistry ◽

10.1021/jp9620072 ◽

1996 ◽

Vol 100 (50) ◽

pp. 19303-19309 ◽

Cited By ~ 15

Author(s):

Konstantin B. Borisenko ◽

Károly Zauer ◽

István Hargittai

Keyword(s):

Molecular Structure ◽

Hydrogen Bonding ◽

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Intramolecular Hydrogen Bonding ◽

Molecular Orbital Study ◽

Intramolecular Hydrogen ◽

Gas Phase Electron Diffraction

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The Molecular Structure of Tetrakis(neopentyl)chromium, Cr(CH2CMe3)4, Determined by Gas-Phase Electron Diffraction. Ab Initio Molecular Orbital Calculations on CrMe4 and CrF4.

Acta Chemica Scandinavica ◽

10.3891/acta.chem.scand.45-0955 ◽

1991 ◽

Vol 45 ◽

pp. 955-957 ◽

Cited By ~ 4

Author(s):

Arne Haaland ◽

Kristin Rypdal ◽

Hans V. Volden ◽

Richard A. Andersen ◽

Rolf Willestofte Berg ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Molecular Orbital Calculations ◽

Gas Phase Electron Diffraction

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Intramolecular Motion and Molecular Structure of N-Nitropyrrolidine: A Gas-Phase Electron Diffraction and Ab Initio Molecular Orbital Study.

Acta Chemica Scandinavica ◽

10.3891/acta.chem.scand.52-0312 ◽

1998 ◽

Vol 52 ◽

pp. 312-321 ◽

Cited By ~ 5

Author(s):

Konstantin B. Borisenko ◽

Svein Samdal ◽

Igor F. Shishkov ◽

Lev V. Vilkov ◽

Reijo Sillanpää ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Molecular Orbital Study ◽

Orbital Study ◽

Intramolecular Motion ◽

Gas Phase Electron Diffraction

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1,1,1,3,3,3-Hexabromotrisilane: structure and conformation determined by gas-phase electron diffraction, ab initio molecular orbital and molecular mechanics calculations, and vibrational spectroscopy

Journal of Molecular Structure ◽

10.1016/0022-2860(95)09025-8 ◽

1995 ◽

Vol 372 (2-3) ◽

pp. 161-172 ◽

Cited By ~ 3

Author(s):

Tore H. Johansen ◽

Kolbjørn Hagen ◽

Reidar Stølevik ◽

Margot Ernst ◽

Karl Hassler

Keyword(s):

Electron Diffraction ◽

Ab Initio ◽

Molecular Mechanics ◽

Gas Phase ◽

Molecular Orbital ◽

Vibrational Spectroscopy ◽

Molecular Mechanics Calculations ◽

Gas Phase Electron Diffraction

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