Structure and conformation of 1-Bromopropane: A gas-phase electron-diffraction investigation using microwave-spectroscopy data and results from ab initio calculations as constraints

Kolbjørn Hagen; Reidar Stølevik

doi:10.1007/bf02286445

Structure and conformation of 1-Bromopropane: A gas-phase electron-diffraction investigation using microwave-spectroscopy data and results from ab initio calculations as constraints

Structural Chemistry ◽

10.1007/bf02286445 ◽

1995 ◽

Vol 6 (3) ◽

pp. 175-181 ◽

Cited By ~ 6

Author(s):

Kolbjørn Hagen ◽

Reidar Stølevik

Keyword(s):

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Microwave Spectroscopy ◽

Spectroscopy Data ◽

Electron Diffraction Investigation ◽

Gas Phase Electron Diffraction

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Molecular structure and conformational composition of 1-iodopropane as determined from gas-phase electron diffraction, microwave spectroscopy data and ab initio calculations

Journal of Molecular Structure ◽

10.1016/0022-2860(94)09003-8 ◽

1995 ◽

Vol 346 ◽

pp. 75-82 ◽

Cited By ~ 7

Author(s):

Kolbjørn Hagen ◽

Reidar Stølevik ◽

Per Christian Sæbø

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Microwave Spectroscopy ◽

Spectroscopy Data ◽

Conformational Composition ◽

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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ChemInform Abstract: Rotational Isomerism in Divinylether Studied by Gas Phase Electron Diffraction, Microwave Spectroscopy, IR Band Profile Simulation and ab initio Calculations.

Chemischer Informationsdienst ◽

10.1002/chin.198603062 ◽

1986 ◽

Vol 17 (3) ◽

Author(s):

W. PYCKHOUT ◽

C. VAN ALSENOY ◽

H. J. GEISE ◽

B. VAN DER VEKEN ◽

G. PIETERS

Keyword(s):

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Microwave Spectroscopy ◽

Rotational Isomerism ◽

Band Profile ◽

Gas Phase Electron Diffraction

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Rotational isomerism in divinylether studied by gas phase electron diffraction, microwave spectroscopy, infrared band profile simulation and ab initio calculations

Journal of Molecular Structure ◽

10.1016/0022-2860(85)87016-2 ◽

1985 ◽

Vol 130 (3-4) ◽

pp. 335-353 ◽

Cited By ~ 19

Author(s):

W. Pyckhout ◽

C. Van Alsenoy ◽

H.J. Geise ◽

B. Van Der Veken ◽

G. Pieters

Keyword(s):

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Microwave Spectroscopy ◽

Rotational Isomerism ◽

Infrared Band ◽

Band Profile ◽

Gas Phase Electron Diffraction

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ChemInform Abstract: The Molecular Structure and Conformational Behaviour of 2-Chloro-1,3- butadiene (Chloroprene) Studied by Gas-Phase Electron Diffraction and ab initio Calculations.

ChemInform ◽

10.1002/chin.199123053 ◽

2010 ◽

Vol 22 (23) ◽

pp. no-no

Author(s):

G. GUNDERSEN ◽

H. G. THOMASSEN ◽

J. E. BOGGS ◽

C. PENG

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Gas Phase Electron Diffraction

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Internal rotation and equilibrium structure of the 2-methyl-2-nitropropane molecule from joint processing of gas phase electron diffraction data, vibrational and microwave spectroscopy data, and quantum chemical calculation results

Journal of Structural Chemistry ◽

10.1134/s0022476617030106 ◽

2017 ◽

Vol 58 (3) ◽

pp. 498-507 ◽

Cited By ~ 3

Author(s):

Yu. I. Tarasov ◽

I. V. Kochikov ◽

D. M. Kovtun ◽

E. A. Polenov ◽

A. A. Ivanov

Keyword(s):

Electron Diffraction ◽

Gas Phase ◽

Quantum Chemical ◽

Equilibrium Structure ◽

Microwave Spectroscopy ◽

Electron Diffraction Data ◽

Chemical Calculation ◽

Spectroscopy Data ◽

Calculation Results ◽

Gas Phase Electron Diffraction

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Molecular structure of trimethylamine–gallane, Me3N·GaH3: ab initio calculations, gas-phase electron diffraction and single-crystal X-ray diffraction studies †

Journal of the Chemical Society Dalton Transactions ◽

10.1039/a806289g ◽

1998 ◽

pp. 3685-3692 ◽

Cited By ~ 24

Author(s):

Paul T. Brain ◽

Helen E. Brown ◽

Anthony J. Downs ◽

Tim M. Greene ◽

Emma Johnsen ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Single Crystal ◽

Ab Initio ◽

Gas Phase ◽

X Ray Diffraction ◽

X Ray ◽

Gas Phase Electron Diffraction

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A combined ab initio and gas-phase electron diffraction investigation of the molecular structure and conformation of (silylmethyl)cyclopropane

Journal of Molecular Structure ◽

10.1016/0022-2860(94)09013-f ◽

1995 ◽

Vol 346 ◽

pp. 239-248 ◽

Cited By ~ 13

Author(s):

Marwan Dakkouri ◽

Thomas Hermann

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Electron Diffraction Investigation ◽

Gas Phase Electron Diffraction

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A study of the asymmetry of ligands in bis(trichlorosilyl)tert-butylphosphine, PBut(SiCl3)2: molecular structure by gas-phase electron diffraction and ab initio calculations

Journal of the Chemical Society Dalton Transactions ◽

10.1039/b204823j ◽

2002 ◽

pp. 3787 ◽

Cited By ~ 5

Author(s):

Sarah L. Hinchley ◽

Heather E. Robertson ◽

David W. H. Rankin ◽

Wolf-W. du Mont

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

The Asymmetry ◽

Gas Phase Electron Diffraction

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Study of the Thymine Molecule: Equilibrium Structure from Joint Analysis of Gas-Phase Electron Diffraction and Microwave Data and Assignment of Vibrational Spectra Using Results of Ab initio Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp8017138 ◽

2008 ◽

Vol 112 (33) ◽

pp. 7662-7670 ◽

Cited By ~ 22

Author(s):

Natalja Vogt ◽

Leonid S. Khaikin ◽

Olga E. Grikina ◽

Anatolii N. Rykov ◽

Jürgen Vogt

Keyword(s):

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Vibrational Spectra ◽

Equilibrium Structure ◽

Joint Analysis ◽

Gas Phase Electron Diffraction ◽

Microwave Data

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