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)
In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 61(7). PERGAMON-ELSEVIER SCIENCE LTD: 1411-1417.
Konferenzbeitrag
| Veröffentlicht | Englisch
Download
Es wurden keine Dateien hochgeladen. Nur Publikationsnachweis!
Autor*in
McLachlan, LJ;
Hinchley, SL;
Robertson, HE;
Rankin, DWH;
Mitzel, Norbert W.UniBi
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 Calculations on related butane derivatives, in which terminal methyl groups have been replaced by CCl3, SiH3 and SiCl3 groups, reveal that the conformational preferences are primarily caused by steric interactions between the terminal groups, and that it is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
Titel des Konferenzbandes
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Serien- oder Zeitschriftentitel
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
Band
61
Ausgabe
7
Seite(n)
1411-1417
ISSN
1386-1425
Page URI
https://pub.uni-bielefeld.de/record/1928629
Zitieren
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. In: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. Vol 61. PERGAMON-ELSEVIER SCIENCE LTD; 2005: 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, SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 61, 1411-1417. PERGAMON-ELSEVIER SCIENCE LTD. https://doi.org/10.1016/j.saa.2004.10.021
McLachlan, LJ, Hinchley, SL, Robertson, HE, Rankin, DWH, and Mitzel, Norbert W. 2005. “Steric and electronic effects on the conformations of n-butane derivatives with trichlorosilyl, silyl and trichloromethyl groups”. In Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 61:1411-1417. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. PERGAMON-ELSEVIER SCIENCE LTD.
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” in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, vol. 61, (PERGAMON-ELSEVIER SCIENCE LTD), 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. In Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. no.61 PERGAMON-ELSEVIER SCIENCE LTD, pp. 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, SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, vol. 61, PERGAMON-ELSEVIER SCIENCE LTD, 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. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 61, p. 1411-1417. PERGAMON-ELSEVIER SCIENCE LTD (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. PERGAMON-ELSEVIER SCIENCE LTD, 2005.Vol. 61. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. 1411-1417.
Daten bereitgestellt von European Bioinformatics Institute (EBI)
Zitationen in Europe PMC
Daten bereitgestellt von Europe PubMed Central.
23 References
Daten bereitgestellt von Europe PubMed Central.
Synthesis of Volatile Cyclic Silylamines and the Molecular Structures of Two 1-Aza-2,5-disilacyclopentane Derivatives.
Mitzel NW, Schmidbaur H, Rankin DW, Smart BA, Hofmann M, Schleyer PR., Inorg Chem 36(20), 1997
PMID: 11670093
Mitzel NW, Schmidbaur H, Rankin DW, Smart BA, Hofmann M, Schleyer PR., Inorg Chem 36(20), 1997
PMID: 11670093
Mitzel, Acta Cryst. C 53(), 1997
Mitzel, J. Phys. Chem. 100(), 1996
Arnason, J. Phys. Chem. A 107(), 2003
Frisch, 1998
Binkley, J. Am. Chem. Soc. 102(), 1980
Gordon, J. Am. Chem. Soc. 104(), 1982
Pietro, J. Am. Chem. Soc. 103(), 1982
Hehre, J. Chem. Phys. 56(), 1972
Hariharan, Theor. Chim. Acta 28(), 1973
Gordon, Chem. Phys. Lett. 76(), 1980
Krishnan, J. Chem. Phys. 72(), 1980
Huntley, J. Chem. Soc., Dalton Trans. (), 1980
Lewis, Spectrum 15(), 1997
Cradock, J. Mol. Struct. 77(), 1982
Boyd, J. Mol. Struct. 71(), 1981
Ross, 1992
Hedberg, J. Mol. Struct. 160(), 1993
Vilkov, Z. Strukt. Khim. 5(2), 1964
Blake, J. Phys. Chem. 100(), 1996
Brain, J. Chem. Soc., Dalton Trans. (), 1996
Mitzel, Dalton Trans. (), 2003
Vajda, J. Org. Chem. 188(3), 1980
Export
Markieren/ Markierung löschen
Markierte Publikationen
Web of Science
Dieser Datensatz im Web of Science®Quellen
PMID: 15820874
PubMed | Europe PMC
Suchen in
Google Scholar