A study of electronic structure of 1,2,4,5-tetracyanobenzene anion radical by resonance raman effect.
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概要
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Resonance Raman spectrum of 1,2,4,5-tetracyanobenzene anion radical (TCNB<SUP>−</SUP>) was measured and compared with that of the neutral molecule (TCNB). Particularly, a Raman line assigned to C<SUB>1</SUB>C<SUB>2</SUB> stretching vibration decreased its frequency remarkably when TCNB was converted to TCNB<SUP>−</SUP>. This decrease indicated that the lowest unoccupied molecular orbital (LUMO) of TCNB had a node on C<SUB>1</SUB>C<SUB>2</SUB> bonding, showing that the LUMO belonged to an a<SUB>u</SUB> species. Furthermore vibrational analyses of TCNB and TCNB<SUP>−</SUP> were carried out and the assignment of their Raman lines was confirmed.
- 公益社団法人 日本化学会の論文
著者
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Maeda Shiro
Research Laboratory Of Resources Utilization Tokyo Institute Of Technology
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Yokoyama Kenji
Research Center For Advanced Bionics National Institute Of Advanced Industrial Science And Technolog
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