期刊
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
卷 60, 期 8-9, 页码 1895-1905出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.saa.2003.09.024
关键词
vibrations; normal mode frequencies; infrared spectra; Raman spectral; adamantane; tricyclo(3.3.1.1.(3.7)) decane
类别
The normal mode frequencies and corresponding vibrational assignments of adamantane in T-d symmetry are examined theoretically using the Gaussian 98 set of quantum chemistry codes. All normal modes were successfully assigned to one of eight types of motion predicted by a group theoretical analysis. The vibrational modes of the deuterated form of adamantane were also calculated and compared against experimental data. Published by Elsevier B.V.
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