Coriolis interactions and infrared intensities in fluoroform

作者: Shigeo Kondo , Shinnosuke Saëki

DOI: 10.1063/1.441106

关键词: Atomic physicsPerturbation (astronomy)DipoleInfraredMoleculeChemistryFluoroformHalogenNuclear magnetic resonanceAb initioCNDO/2

摘要: Infrared intensities of the fundamental bands CHF3 molecule were remeasured. The Coriolis interaction between ν3 and ν5 as well that ν6 was analyzed to determine sign perturbation. As a result, relative signs all (∂p/∂Qi)’s in this have been determined without using CNDO/2 method or an ab initio calculation. An empirical rule on CF bond intensity parameters is proposed by name ’’CF‐bond criteria’’, according which negative dipole moment enhanced direction displacements F atoms both stretching deformation modes. Further, possibility suggested extend halogen atoms.

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