1969 Volume 42 Issue 10 Pages 2767-2772
The CNDO/2 method, an approximate self-consistent molecular orbital theory, has been applied to the calculation of equilibrium distances of the carbon-hydrogen bond and the normal and hypothetical carbon-carbon single or double bonds which are usually considered te-te, tri-tri, di-di and te-tri single bonds or tri-tri and di-di double bonds between carbon hybrids. The electronic interaction energies between non-adjacent atomic orbitals for sigma system considering appropriate carbon hybrids have been estimated. From the results of these calculations, it follows that the carbon-carbon bond length of sigma system is little affected by the types of hydbridization of carbon atoms.
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