Guang pu xue yu guang pu fen xi = Guang pu 2000-12-01

[Vibrational frequencies study of the hydroxy-benzoquinones].

Y Sun, R Yang, H Zhang, Q Yang

文献索引：Guang Pu Xue Yu Guang Pu Fen Xi 20(6) , 790-2, (2000)

全文：HTML全文

摘要

In this paper, we report the Ab initio calculation and experimental investigation of the vibrational frequencies of 4,5-dihydroxy-1,2-benzoquinone and 2,5-dihydroxy-1,4-benzoquinone. The main IR and Raman absorption bands of them have been assigned, learned from other strong points to offset one weakness, by combination the program Gaussian 94 and MOPAC. The difference in absorption bands between them has been discussed.