Stretching the Vibrational IR Active Spectra of Carbon Fullerenes

被引:3
|
作者
Sen, Rupam [1 ]
Kalyan, Ashim [1 ]
Sarkar, Nirmal Kumar [2 ]
Bhattacharjee, Ramendu [3 ]
机构
[1] Srikishan Sarda Coll, Dept Phys, Hailakandi 788151, Assam, India
[2] Karimganj Coll, Dept Phys, Karimganj, India
[3] Assam Univ, Dept Phys, Silchar, India
关键词
Lie algebra; vibrational spectra; fullerenes; infrared active mode; BINDING MOLECULAR-DYNAMICS; U(2) ALGEBRAIC MODEL; C-70; FREQUENCIES; C-60; BUCKMINSTERFULLERENE; 1ST-PRINCIPLES; CLUSTERS; C-80;
D O I
10.1080/1536383X.2012.684177
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
Molecular vibration spectra are of great significance in the study of molecular structures and characters. Here, an analytical method of Lie algebraic approach is imported into the domain of micro-scaled molecular spectra. The vibrational modes of fullerenes C-50, C-70 and C-80 are calculated considering the C-C bond interactions. The algebraic Hamiltonian describing vibrational spectra of polyatomic molecules has been derived by using the dynamical U(2) Lie algebra. The calculations are performed within the framework of the vibron model with fewer numbers of algebraic parameters. The calculations show a reasonable agreement with previously published calculated and experimental results.
引用
收藏
页码:861 / 868
页数:8
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