Spectra and structure of silicon-containing compounds. XIX. Raman and infrared spectra, conformational stability, vibrational assignment, barrier to internal rotation, and ab initio calculations of ethyldifluorosilane

Durig, J. R.; Guirgis, Gamil A.; Mohamed, Tarek A.; Herrebout, Wouter A.; Afifi, M. S.

doi:10.1016/0022-2860(93)07939-t

Cited by 14 publications

(1 citation statement)

References 9 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This compound is closely related to dichloromethyldifluoromethylsilane 1 (CHCl 2 -CH 3 SiF 2 ) and to other halomethylmethylhalosilanes, which have recently been studied in our laboratories. This compound is closely related to dichloromethyldifluoromethylsilane 1 (CHCl 2 -CH 3 SiF 2 ) and to other halomethylmethylhalosilanes, which have recently been studied in our laboratories.…”

Section: Introductionmentioning

confidence: 99%

The conformers of chloromethylmethyldifluorosilane studied by vibrational spectroscopy andab initio methods

Aleksa

Klæboe

Nielsen

et al. 2000

J. Raman Spectrosc.

View full text Add to dashboard Cite

Section: Introductionmentioning

confidence: 99%

The conformers of chloromethylmethyldifluorosilane studied by vibrational spectroscopy andab initio methods

Aleksa

Klæboe

Nielsen

et al. 2000

J. Raman Spectrosc.

View full text Add to dashboard Cite

Conformational equilibria, Raman and infrared spectra and ab initio calculations of dichloromethylmethyldichlorosilane

Aleksa

Gruodis

Powell

et al. 2001

J Raman Spectroscopy

View full text Add to dashboard Cite

The infrared spectra of dichloromethylmethyldichlorosilane (Cl 2 CHCH 3 SiCl 2 ) were recorded in the vapour, amorphous and partly crystalline phases and when isolated in argon, nitrogen and krypton matrices at 5 K. Raman spectra of the liquid were recorded at various temperatures between 295 and 147 K. Spectra of the amorphous and annealed crystal deposited on a copper finger at 80 K were obtained. The spectra showed the existence of two conformers, anti and gauche, in the vapour and in the liquid. Approximately 12 infrared bands were reduced in intensity, and six of the same bands present in the fluid phases in the Raman spectra vanished upon crystallization. From the intensity variations of two band pairs with temperature, a 1H • value of 0.4 ± 0.3 kJ mol −1 between the conformers was obtained in the liquid, anti being the low-energy conformer. Small increases and decreases in the IR band intensities were observed in the matrix spectra after annealing to 32 K (nitrogen), 36 K (argon) and 50 K (krypton). The enthalpy difference between the conformers is low in the matrices, but the anti conformer had lower energy than the gauche conformer. Ab initio calculations were performed at the HF/6-311G * level and gave optimized geometries, vibrational wavenumbers and infrared and Raman intensities for the anti and gauche conformers. The conformational energy derived was 4.4 kJ mol −1 with anti being the low-energy conformer. The dipole moments were calculated to be 1.2 and 3.1 D for the anti and gauche conformers, respectively. Correlation between the observed and calculated wavenumbers of both conformers revealed that anti was present in the crystal, and complete assignments of the spectra were carried out.

show abstract

Infrared, Raman and temperature-dependent NMR spectra, vibrational assignments, normal coordinate analysis, and DFT calculations of benzoxazoline-2-thione

Mohamed¹,

Mustafa²,

Zoghaib³

et al. 2010

Vibrational Spectroscopy

View full text Add to dashboard Cite

Spectra and structure of silicon-containing compounds. XIX. Raman and infrared spectra, conformational stability, vibrational assignment, barrier to internal rotation, and ab initio calculations of ethyldifluorosilane

Cited by 14 publications

References 9 publications

The conformers of chloromethylmethyldifluorosilane studied by vibrational spectroscopy andab initio methods

The conformers of chloromethylmethyldifluorosilane studied by vibrational spectroscopy andab initio methods

Conformational equilibria, Raman and infrared spectra and ab initio calculations of dichloromethylmethyldichlorosilane

Infrared, Raman and temperature-dependent NMR spectra, vibrational assignments, normal coordinate analysis, and DFT calculations of benzoxazoline-2-thione

Contact Info

Product

Resources

About