CNDO/2 calculations concerning the gernanium-carbon double bond

B. G. Gowenlock, J. A. Hunter

Research output: Contribution to journal › Article

Abstract

By suitable choice of parameters, the CNDO/2 method of calculation of molecular properties has been extended to include germanium atoms. Calculations have been made of energy-minimising bond lengths for germaethylene and fluorinated germaethylenes and of various properties of these optimised geometry models. These suggest that the germanium-carbon double bond would have somewhat unusual characteristics. © 1976.

Original languageEnglish
Pages (from-to)171-178
Number of pages8
JournalJournal of Organometallic Chemistry
Volume111
Issue number2
Publication statusPublished - 11 May 1976

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Germanium
Carbon
Bond length
Atoms
Geometry

Cite this

Gowenlock, B. G. ; Hunter, J. A. / CNDO/2 calculations concerning the gernanium-carbon double bond. In: Journal of Organometallic Chemistry. 1976 ; Vol. 111, No. 2. pp. 171-178.
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Gowenlock, BG & Hunter, JA 1976, 'CNDO/2 calculations concerning the gernanium-carbon double bond', Journal of Organometallic Chemistry, vol. 111, no. 2, pp. 171-178.

CNDO/2 calculations concerning the gernanium-carbon double bond. / Gowenlock, B. G.; Hunter, J. A.

In: Journal of Organometallic Chemistry, Vol. 111, No. 2, 11.05.1976, p. 171-178.

Research output: Contribution to journal › Article

TY - JOUR

T1 - CNDO/2 calculations concerning the gernanium-carbon double bond

AU - Gowenlock, B. G.

AU - Hunter, J. A.

PY - 1976/5/11

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N2 - By suitable choice of parameters, the CNDO/2 method of calculation of molecular properties has been extended to include germanium atoms. Calculations have been made of energy-minimising bond lengths for germaethylene and fluorinated germaethylenes and of various properties of these optimised geometry models. These suggest that the germanium-carbon double bond would have somewhat unusual characteristics. © 1976.

AB - By suitable choice of parameters, the CNDO/2 method of calculation of molecular properties has been extended to include germanium atoms. Calculations have been made of energy-minimising bond lengths for germaethylene and fluorinated germaethylenes and of various properties of these optimised geometry models. These suggest that the germanium-carbon double bond would have somewhat unusual characteristics. © 1976.

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JO - Journal of Organometallic Chemistry

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Gowenlock BG, Hunter JA. CNDO/2 calculations concerning the gernanium-carbon double bond. Journal of Organometallic Chemistry. 1976 May 11;111(2):171-178.