Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7670354 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2018 | 27 Pages |
Abstract
B3PW91/QZ optimized geometry and Mayer bond order for YC2 confirm that the bonding of CC is double bond rather than intermediate between a double and triple bond. The complete third and the semi-diagonal quartic force fields and spectroscopic constants of YC2 and its 13C isotopologues are calculated.145
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Yanliang Zhao, Meishan Wang, Chuanlu Yang, Xiaoguang Ma, Jing Li,