HIGHER OVERTONE VIBRATIONAL FREQUENCIES OF CYCLOBUTANE-D8 USING LIE ALGEBRAIC FRAMEWORK

被引:0
|
作者
Rao, A. Ganapathi [1 ]
Lavanya, K. [2 ,3 ]
Vijayasekhar, J. [3 ]
机构
[1] GMR Inst Technol, Dept Basic Sci & Humanities, Rajam, India
[2] St Francis Coll Women, Dept Math, Hyderabad, India
[3] GITAM, Dept Math, Hyderabad, India
来源
关键词
Hamiltonian operator; Lie algebraic framework; Vibrational Spectra; Morse oscillator; Cyclobutane-d8; POST-HARTREE-FOCK; DENSITY-FUNCTIONAL THEORY; MOLECULAR-STRUCTURE; SPECTRA;
D O I
10.26565/2312-4334-2024-2-53
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
This research study employs a Lie algebraic framework to investigate the second and third overtone vibrational frequencies and their combination bands in cyclobutane-d8 (C4D8). The application of this framework ensures the preservation of the point symmetry group D2d, characterized by the symmetry species A(1), A(2), B-1, B-2, and E. The analysis encompasses 23 normal vibrational modes within the molecular structure of cyclobutane-d8. Our study extensively explores the vibrational spectra, elucidating the intricate interactions among these vibrational modes. Preserving molecular symmetry allows for a deeper understanding of vibrational interactions, offering valuable insights into spectroscopy. The research enhances the comprehension of molecular structure and its applications in various fields, providing a detailed view of higher energy levels and complex vibrational transitions in cyclobutane-d8.
引用
收藏
页码:411 / 415
页数:5
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