Title of article
Observation of CHF2Cl trimer in Xe matrix and calculations of stable isomers by density functional theory
Author/Authors
Ito، نويسنده , , Fumiyuki، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2012
Pages
7
From page
43
To page
49
Abstract
Infrared spectra of CHF2Cl trimer have been assigned in Xe matrix. Twenty-six structural isomers have been obtained by DFT calculations at the B971/6-311++G(3df,3pd) level, and synthetic spectra based on these calculations showed reasonable agreement with the observed spectral pattern.
Keywords
Matrix-isolation , infrared spectroscopy , CHF2Cl , Density functional theory , trimer
Journal title
Journal of Molecular Structure
Serial Year
2012
Journal title
Journal of Molecular Structure
Record number
1971048
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