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Citation: Liang Wei-Gen, Yan Ji-Min, Hu Ri-Heng. On Intramolecular NON-Bonded Interaction of 1,1-Difluoroethane and 1,2-Difluoroethane[J]. Acta Physico-Chimica Sinica, ;1992, 8(01): 33-38. doi: 10.3866/PKU.WHXB19920108 shu

On Intramolecular NON-Bonded Interaction of 1,1-Difluoroethane and 1,2-Difluoroethane

1.
Institute of Chemistry, Academia Sinica, Beijing 100080

Received Date: 23 August 1990
Available Online: 15 February 1992

An ab initio PD/LSF and (exp-6-1) model has been used to deal with intramolecular non-bonded interaction of 1,1-difluoro-ethane and 1.2-difluoroethane. It is concluded that the energy difference of isomers comes from intramolecular non-bonded inter-acion between the atoms. This model provides a useful, simple and easily understood approximation to intramolecular non-bon-ded interaction.
- Intramolecular non-bonded interaction; Ab initio calculation; PD/LSF charge; (exp-6-1) model; Difluoroethane
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