The equilibrium structure of silene H2C=SiH2 from millimeter wave spectra and from ab initio calculations

1997 ◽  
Vol 106 (24) ◽  
pp. 10016-10026 ◽  
Author(s):  
Stephane Bailleux ◽  
Marcel Bogey ◽  
Jean Demaison ◽  
Hans Bürger ◽  
Michael Senzlober ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Millimeter Wave ◽  
Equilibrium Structure ◽  
Wave Spectra

ChemInform Abstract: Millimeter-Wave Spectra, ab initio Calculations, and Structures of Fluorophosphane and Chlorophosphane.

ChemInform ◽  
2010 ◽  
Vol 28 (14) ◽  
pp. no-no
Author(s):  
P. DREAN ◽  
M. PAPLEWSKI ◽  
J. DEMAISON ◽  
J. BREIDUNG ◽  
W. THIEL ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Millimeter Wave ◽  
Wave Spectra

The millimeter-wave spectra of FN2+ and FCO+ and ab initio calculations for FCN, FCO+, FN2+, and FNC

1992 ◽  
Vol 153 (1-2) ◽  
pp. 255-275 ◽  
Author(s):  
Peter Botschwina ◽  
Peter Sebald ◽  
Marcel Bogey ◽  
Claire Demuynck ◽  
Jean-Luc Destombes
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Millimeter Wave ◽  
Wave Spectra

ChemInform Abstract: FP=S in the Gas-Phase: Detection by Rotationally Resolved Infrared and Millimeter-Wave Spectra Assisted by ab-initio Calculations.

ChemInform ◽  
2010 ◽  
Vol 31 (36) ◽  
pp. no-no
Author(s):  
Helmut Beckers ◽  
Marcel Bogey ◽  
Juergen Breidung ◽  
Hans Buerger ◽  
Pascal Drean ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Millimeter Wave ◽  
Wave Spectra ◽  
Phase Detection

scholarly journals Laboratory Millimeter Wave Spectroscopy of Small Reactive Species

1994 ◽  
Vol 146 ◽  
pp. 417-431
Author(s):  
C. Demuynck ◽  
M. Bogey ◽  
H. Bolvin ◽  
M. Cordonnier ◽  
J.L. Destombes ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Millimeter Wave ◽  
Radio Astronomy ◽  
Molecular Ions ◽  
Reactive Species ◽  
Oh Radical ◽  
Line Frequency ◽  
Millimeter Wave Spectroscopy ◽  
Strong Motivation

The discovery of a large variety of molecules by radio astronomy has been a very strong motivation for the development of laboratory millimeter wave spectroscopy. Among them, the reactive species, neutral and/or ionic, have been early recognized as playing a very important role in the chemistry of the interstellar and circumstellar medium. While the laboratory spectroscopy of free radicals started relatively early, with the observation of the OH radical by the group of Townes (Dousmanis et al. 1955), the detection of molecular ions proved to be a much more difficult task, and the first millimeter line due to an ion was actually detected by radio astronomy (Buhl & Snyder 1970). It was called “U89.2” until it was tentatively attributed to HCO+by Klemperer (1970) on the basis of both considerations on the chemistry of the interstellar medium, and of ab initio calculations for the prediction of the expected line frequency. This identification was later confirmed by more elaborated ab initio calculations (Wahlgren et al. 1973, Kraemers & Diercksen 1976), and by the observation of a transition attributed to H13CO+(Snyder et al. 1976), but the definite confirmation was the observation of the same transition in a laboratory glow discharge by the group of Woods (Woods et al. 1975).

Gas-phase detection of the FCO2 radical by millimeter wave and high resolution infrared spectroscopy assisted by ab initio calculations

2003 ◽  
Vol 118 (3) ◽  
pp. 1214-1220 ◽  
Author(s):  
Zdeněk Zelinger ◽  
Pascal Dréan ◽  
Adam Walters ◽  
Juan Ramon Avilès Moreno ◽  
Marcel Bogey ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Millimeter Wave ◽  
Phase Detection

Rotational spectra of rare isotopic species of bromofluoromethane: Determination of the equilibrium structure from ab initio calculations and microwave spectroscopy

2007 ◽  
Vol 127 (16) ◽  
pp. 164302 ◽  
Author(s):  
Cristina Puzzarini ◽  
Gabriele Cazzoli ◽  
Agostino Baldacci ◽  
Alessandro Baldan ◽  
Christine Michauk ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Equilibrium Structure ◽  
Microwave Spectroscopy ◽  
Rotational Spectra ◽  
Isotopic Species
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