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 language | English |
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Pages (from-to) | 171-178 |
Number of pages | 8 |
Journal | Journal of Organometallic Chemistry |
Volume | 111 |
Issue number | 2 |
Publication status | Published - 11 May 1976 |
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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
Y1 - 1976/5/11
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.
M3 - Article
VL - 111
SP - 171
EP - 178
JO - Journal of Organometallic Chemistry
JF - Journal of Organometallic Chemistry
SN - 0022-328X
IS - 2
ER -