Bending dynamics of acetylene: New modes born in bifurcations of normal modes

被引:33
|
作者
Tyng, Vivian [1 ]
Kellman, Michael E. [1 ]
机构
[1] Univ Oregon, Dept Chem, Eugene, OR 97403 USA
来源
JOURNAL OF PHYSICAL CHEMISTRY B | 2006年 / 110卷 / 38期
关键词
D O I
10.1021/jp057357f
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Semiclassical techniques are used to analyze highly excited pure bending vibrational dynamics from spectra of C2H2. An analytic bifurcation approach is developed, based on critical points of a classical version of the quantum fitting Hamiltonian. At high energy four new types of anharmonic modes are born in bifurcations of the normal modes: local, orthogonal, precessional, and counter-rotator. Visual insight into their nature is obtained with the help of computer-generated three-dimensional animations. The connection between the local mode and the acetylene-vinylidene isomerization "reaction mode" is considered.
引用
收藏
页码:18859 / 18871
页数:13
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