Vibrational frequency assignment and molecular structure of p-benzoquinone
Vibrational frequency assignment and molecular structure of p-benzoquinone
复制标题
对苯醌的振动频率分配和分子结构
DOI：
10.1039/tf9635901248
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发表时间：
1963
期刊：
影响因子：
--
通讯作者：
F. Prichard
中科院分区：
文献类型：
--
作者：
M. Davies;F. Prichard
The infra-red absorptions of p-benzoquinone (O= C6H4= O) have been studied in the vapour, solution and solid phases. Measurements were made in the range 5000-200 cm-1: In conjunction with published Raman spectra and our own infra-red spectra for a number of simple derivatives, including deutero-bcnzoquinone (O= C, sD4= O) and the di-imine (HN= Cs-= NH), a complete assignment of the fundamental modes is presented. A self-consistent m. 0. calculation of the bonding conditions is brie5y reported.As expected, the frequency pattern shows a number of well-defined differences from benzenoid structures, and it is suggested that these can assess the occurrence of mixed benzenoidquinonoid character in simple aromatic structures, eg, in pC6H4F2. A feature of the benzoquinone spectrum in the nearly saturated solution or crystalline state is the rich sequence of combination tones which do not appear in the vapour: in the crystal it is the result of coupling (possibly electron delocalization?) between different molecules.
