PREPARATION AND MOLECULAR AND ELECTRONIC-STRUCTURES OF A NEW DIAMAGNETIC DIRUTHENIUM(II) COMPLEX, RU2[(PARA-TOL)NC(H)N(PARA-TOL)]4

被引：57

作者：

COTTON, FA ^{[1
]}

REN, T ^{[1
]}

机构：

[1] TEXAS A&M UNIV SYST,MOLEC STRUCT & BONDING LAB,COLLEGE STN,TX 77843

来源：

INORGANIC CHEMISTRY | 1991年 / 30卷 / 19期

关键词：

D O I：

10.1021/ic00019a021

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The title complex, Ru2(DFM)4 (DFM- = (p-tol)NCHN(p-tol)-), has been synthesized and characterized by X-ray crystallography as well as several spectroscopic methods. The dark red complex crystallizes as Ru2(DFM)4.C6H6 in space group Pbnb with a = 17.086 (4) angstrom, b = 23.952 (11) angstrom, c = 15.521 (4) angstrom, V = 6352 (4) angstrom 3, and Z = 4. The complex has been shown to be diamagnetic on the basis of H-1 NMR spectroscopy and has a very long Ru-Ru distance (2.474 (1) angstrom). These features are indicative of a (sigma)2(pi)4(delta)2(pi*)4 ground-state configuration. A fairly large delta*-pi* gap (1.18 eV) was derived from an SCF-X-alpha calculation performed on the model Ru2(HNCHNH)4, thus confirming the configuration mentioned above. The observed electronic absorption spectrum was assigned with the aid of the MO calculation.

引用

页码：3675 / 3679

页数：5

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