Title of article
Theoretical interpretation of the infrared lineshape of gaseous propynoic and acrylic acid dimers
Author/Authors
Benmalti، نويسنده , , Mohamed El-Amine and Chamma، نويسنده , , Didier and Blaise، نويسنده , , Paul and Henri-Rousseau، نويسنده , , Olivier، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2006
Pages
5
From page
27
To page
31
Abstract
We have applied a model using quantum indirect relaxation [P. Blaise, et al., J. Chem. Phys. 122 (2005) 64306] to unpolarized νX–H infrared (IR) lineshapes of centrosymmetric cyclic (HC≡CCOOH/D)2 and (H2C=HCOOH/D)2 in gaseous phase. The approach reproduces satisfactorily the main features of the experimental lineshapes by using a minimum number of independent parameters.
Keywords
Infrared spectra lineshapes , Quantum indirect damping , Davydov effect , Centrosymmetric cyclic dimers , Hydrogen bonding
Journal title
Journal of Molecular Structure
Serial Year
2006
Journal title
Journal of Molecular Structure
Record number
1962651
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