Article ID Journal Published Year Pages File Type
5139299 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2018 30 Pages PDF
Abstract
The differences between 2-(2′-pyridyl)benzimidazole and 2-(4′-pyridyl)benzimidazole are researched by terahertz time-domain spectroscopy and density functional theory systematically. Although the only difference between their molecular configurations is the different arrangement of nitrogen on pyridine ring, 2PBI and 4PBI have large differences in their experimental absorption spectra in the range of 0.2-2.5 THz, such as the amount, amplitude and frequency position of absorption peaks. The validity of these results is confirmed by the theoretical results simulated using density functional theory.156
Related Topics
Physical Sciences and Engineering Chemistry Analytical Chemistry
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