Steric and electronic effects on the conformations of n-butane derivatives with trichlorosilyl, silyl and trichloromethyl groups

McLachlan LJ, Hinchley SL, Robertson HE, Rankin DWH, Mitzel NW (2005)
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 61(7): 1411-1417.

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Abstract / Bemerkung
The molecular structure and conformation of 1, 1, 1,4,4,4-hexachloro- 1,4-disilabutane in the gas-phase have been determined by electron diffraction and computational methods. The lowest-energy conformation has the trichlorosilyl groups anti to one another. The gauche conformation also has a shallow potential minimum, but lies about 19 kJ mol(-1) above the anti form. Calculations on related butane derivatives, in which terminal methyl groups have been replaced by CCl3, SiH3 and SiCl3 groups, reveal that the conformational preferences are primarily caused by steric interactions between the terminal groups, and that it is the presence of chlorine atoms that destabilises gauche conformations. The electronegativity of the chlorine atoms has only small effects, mainly limited to the Si-Cl bond lengths. (c) 2004 Elsevier B.V. All rights reserved.
Stichworte
molecular structure; electron diffraction; silabutane; ab initio
Erscheinungsjahr
2005
Band
61
Ausgabe
7
Seite(n)
1411-1417
ISSN
1386-1425
Page URI
https://pub.uni-bielefeld.de/record/1928629

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McLachlan LJ, Hinchley SL, Robertson HE, Rankin DWH, Mitzel NW. Steric and electronic effects on the conformations of n-butane derivatives with trichlorosilyl, silyl and trichloromethyl groups. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 2005;61(7):1411-1417.
McLachlan, L. J., Hinchley, S. L., Robertson, H. E., Rankin, D. W. H., & Mitzel, N. W. (2005). Steric and electronic effects on the conformations of n-butane derivatives with trichlorosilyl, silyl and trichloromethyl groups. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 61(7), 1411-1417. doi:10.1016/j.saa.2004.10.021
McLachlan, L. J., Hinchley, S. L., Robertson, H. E., Rankin, D. W. H., and Mitzel, N. W. (2005). Steric and electronic effects on the conformations of n-butane derivatives with trichlorosilyl, silyl and trichloromethyl groups. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 61, 1411-1417.
McLachlan, L.J., et al., 2005. Steric and electronic effects on the conformations of n-butane derivatives with trichlorosilyl, silyl and trichloromethyl groups. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 61(7), p 1411-1417.
L.J. McLachlan, et al., “Steric and electronic effects on the conformations of n-butane derivatives with trichlorosilyl, silyl and trichloromethyl groups”, SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, vol. 61, 2005, pp. 1411-1417.
McLachlan, L.J., Hinchley, S.L., Robertson, H.E., Rankin, D.W.H., Mitzel, N.W.: Steric and electronic effects on the conformations of n-butane derivatives with trichlorosilyl, silyl and trichloromethyl groups. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 61, 1411-1417 (2005).
McLachlan, LJ, Hinchley, SL, Robertson, HE, Rankin, DWH, and Mitzel, Norbert W. “Steric and electronic effects on the conformations of n-butane derivatives with trichlorosilyl, silyl and trichloromethyl groups”. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 61.7 (2005): 1411-1417.

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