物理化学学报 >> 1987, Vol. 3 >> Issue (06): 663-667.doi: 10.3866/PKU.WHXB19870620
余兆楼; 竺迺珏; 朱道本
Yu Zhaolou; Zhu Naijue; Zhu Daoben
Abstract: The molecular and crystal structure of the cbarge-transfer complex formed between 2,4,7-trinitrofluorenone (TNF) and 1,6-di-(N-carbazolyl-) 2,4-hexadiyne (DCH) has been determined from three dimensional intensity measured on a R3m/E four circle diffractometer. The complex crystallizes with one donor (DCH) and two acceptor (TNF) in a triclinic cell (P_1) of dimensions a=0.7190(1), b=1.0760(2), c=1.5438(3) nm and α=88.34(2), β=88.86(2), γ=87.92(2)°. The structure was solved by direct method using SHELXTL program. The H atoms coordinates were caculated geometrically. The 1609 statistically significant reflections were refined by “blocked cascade” least squares to a final value of R=0.073. The spearate schematic drawings of the donor and acceptor molecules with the bond lengths and angles are shown in Fig.1a and 1b. The acceptor (TNF) and donor (DCH) molecules lie in bc-planes with average distance of 0.34 nm between the molecules.
余兆楼;竺迺珏;朱道本. 咔哇二乙炔三硝基芴酮电荷转移复合物的分子结构与晶体结构[J]. 物理化学学报, 1987, 3(06): 663-667.
Yu Zhaolou; Zhu Naijue; Zhu Daoben. MOLECULAR AND CRYSTAL STRUCTURE OF THE 2,4,7-TRINITROFLUORENONE-1.6-DI-(N-CARBAZOLYL) 2,4-HEXADIYNE CHARGE-TRANSFER COMPLEX[J]. Acta Phys. -Chim. Sin., 1987, 3(06): 663-667.
导出引用管理器 EndNote (中文内容)|EndNote (英文内容)|