Determination of the gas-phase molecular structures of di-t-butyldichlorosilane and di-t-butylchlorosilane by electron diffraction and molecular mechanics calculations
Publication type: Journal Article
Publication date: 1990-05-01
scimago Q2
wos Q2
SJR: 0.628
CiteScore: 8.0
Impact factor: 4.7
ISSN: 00222860, 18728014
Organic Chemistry
Inorganic Chemistry
Spectroscopy
Analytical Chemistry
Abstract
The molecular structures of SiBu t 2 Cl 2 and SiBu t 2 ClH in the gas phase have been determined by a combination of electron diffraction and molecular mechanics. The advantage of using molecular mechanics as a guide to the structures is shown. In both structures the butyl groups adopt nearly staggered conformations with respect to opposite SiC bonds. In SiBu t 2 Cl 2 , assuming C 2 symmetry, the parameters ( r a ) are: r (SiCl)=206.9(1), r (SiC)=189.1(4), r [C(1)–C(2)]=154.8(2), r (CH)=113.5(2) pm, ∠ SiC(1)C(2)=108.7(2), ∠ CCH=112.6(9), ∠ CSiC=125.3(6), ∠ ClSiCl=102.7(5), o[C(14)SiC(1)C(2)]=167.1(1), o[SiC(1)C(2)H(3)]=145.9(18)°. In SiBu t 2 ClH, the geometric parameters are: r (SiCl)=208.7(2), r (SiC)=190.3(4), r [C(1)–C(2)]=154.1(1), r (CH)=113.1(3), r (SiH)=148.7 pm, ∠ SiC(1)C(2)=106.5(2), ∠ CCH=113.2(11), ∠ CSiC=125.2(5), ∠ ClSiH= 102.7(13), o[C(14)SiC(1)C(2)]=167.8(8), o[SiC(1)C(2)H(3)]=157.4(17)°.
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Forsyth G. A., Rankin D. C. Determination of the gas-phase molecular structures of di-t-butyldichlorosilane and di-t-butylchlorosilane by electron diffraction and molecular mechanics calculations // Journal of Molecular Structure. 1990. Vol. 222. No. 3-4. pp. 467-478.
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Forsyth G. A., Rankin D. C. Determination of the gas-phase molecular structures of di-t-butyldichlorosilane and di-t-butylchlorosilane by electron diffraction and molecular mechanics calculations // Journal of Molecular Structure. 1990. Vol. 222. No. 3-4. pp. 467-478.
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TY - JOUR
DO - 10.1016/0022-2860(90)85053-l
UR - https://doi.org/10.1016/0022-2860(90)85053-l
TI - Determination of the gas-phase molecular structures of di-t-butyldichlorosilane and di-t-butylchlorosilane by electron diffraction and molecular mechanics calculations
T2 - Journal of Molecular Structure
AU - Forsyth, George A
AU - Rankin, David C.
PY - 1990
DA - 1990/05/01
PB - Elsevier
SP - 467-478
IS - 3-4
VL - 222
SN - 0022-2860
SN - 1872-8014
ER -
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@article{1990_Forsyth,
author = {George A Forsyth and David C. Rankin},
title = {Determination of the gas-phase molecular structures of di-t-butyldichlorosilane and di-t-butylchlorosilane by electron diffraction and molecular mechanics calculations},
journal = {Journal of Molecular Structure},
year = {1990},
volume = {222},
publisher = {Elsevier},
month = {may},
url = {https://doi.org/10.1016/0022-2860(90)85053-l},
number = {3-4},
pages = {467--478},
doi = {10.1016/0022-2860(90)85053-l}
}
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MLA
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Forsyth, George A., and David C. Rankin. “Determination of the gas-phase molecular structures of di-t-butyldichlorosilane and di-t-butylchlorosilane by electron diffraction and molecular mechanics calculations.” Journal of Molecular Structure, vol. 222, no. 3-4, May. 1990, pp. 467-478. https://doi.org/10.1016/0022-2860(90)85053-l.