Conformational stability, r(0) structural parameters, vibrational assignments and ab initio calculations of ethyldichlorophosphine.

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy(2015)

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摘要
•Vibrational data indicate the presence of two conformers.•The enthalpy difference going from the trans form to the gauche form is 88±9cm−1.•Estimated r0 structural parameters have been determined for both conformers.•Ab initio calculations have been performed for both forms.
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关键词
Conformational stability,r0 Structural parameters,Vibrational assignment,Ab initio calculations,Ethyldichlorophosphine
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