A simple rule for prediction of intensities of vibrational overtone spectra期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

A simple rule for prediction of intensities of vibrational overtone spectra

Affiliation:	1. Laboratory of Technology and Solid Properties (LTPS), Abdelhamid Ibn Badis University of Mostaganem, 27000 Mostaganem, Algeria;2. Process Engineering Department, Faculty of Technology, Dr. Moulay Tahar University of Saïda, 20000 Saida, Algeria;3. Department of Chemistry, University of Gujrat, Gujrat-50700, Pakistan;4. Department of Chemistry, Govt. College Women University, Sialkot-51300, Pakistan;5. Department of Chemistry, Faculty of Science, Umm Al-Qura University, Makkah 21955, Saudi Arabia;6. Chemistry Department, Faculty of Exact Sciences and Informatic, Hassiba Benbouali University, Chlef, 02000, Algeria;7. Chemistry Department, Faculty of Science, Assiut University, 71516 Assiut, Egypt

Abstract:	The intensities of vibrational overtone absorption transitions are described in terms of vibronic coupling of the ground molecular state to excited electronic configurations. Model calculations indicate an important role of nuclear geometry of excited electronic states relative to the ground state in determination of molecular overtone spectra. A simple rule for qualitative predictions of the overtone spectra for diatomic molecules or local bond modes of polyatomic molecules is proposed.

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