CNDO/2 calculations concerning the gernanium-carbon double bond

B. G. Gowenlock; J. A. Hunter

CNDO/2 calculations concerning the gernanium-carbon double bond

B. G. Gowenlock
, J. A. Hunter

School of Engineering & Physical Sciences

Research output: Contribution to journal › Article › peer-review

7 Citations (Scopus)

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
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

Cite this

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title = "CNDO/2 calculations concerning the gernanium-carbon double bond",

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. {\textcopyright} 1976.",

author = "Gowenlock, \{B. G.\} and Hunter, \{J. A.\}",

year = "1976",

month = may,

day = "11",

language = "English",

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pages = "171--178",

journal = "Journal of Organometallic Chemistry",

issn = "0022-328X",

publisher = "Elsevier B.V.",

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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

SN - 0022-328X

VL - 111

SP - 171

EP - 178

JO - Journal of Organometallic Chemistry

JF - Journal of Organometallic Chemistry

IS - 2

ER -

CNDO/2 calculations concerning the gernanium-carbon double bond

Abstract

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