期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 11, 期 35, 页码 7611-7618出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/b906773f
关键词
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资金
- National Science Foundation of China (NSFC) [20774022]
- Leading Scientist Project of Shanghai [07XD14002]
- National Basic Research Program of China [2005CB623800, 2009CB930000]
Near infrared spectroscopy (NIR) and two-dimensional correlation spectroscopy (2Dcos) were employed to study the dynamic self-disassociation behavior of hydrogen bonds in neat liquid pyrrole during heating. Two regions (7000-6430 cm(-1) for NH-related vibrational overtones and 6200-6100 cm(-1) for CH-related vibrational overtones and combination modes) are the focus of this paper, whose integral absorption temperature dependence exhibited a continuous convex variation. Two-dimensional correlation analysis has discerned the sequence of change of different aggregated species of pyrrole. Additionally, we carefully investigated the band shift phenomenon of N-H center dot center dot center dot pi hydrogen bonding in pyrrole dimers, and assigned this band shift as the result of the transformation of pyrrole dimers from T-shaped geometry to antiparallel geometry.
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