SYNTHESIS, EXTENDED HUCKEL MOLECULAR-ORBITAL CALCULATIONS, AND X-RAY-DIFFRACTION STRUCTURE OF THE PENTAMETHYLCYCLOPENTADIENYLRUTHENIUM COMPLEX CP-ASTERISK-RU(NO)(2,3-QUINOXALINEDIOLATE)

被引：9

作者：

YANG, KY ^{[1
]}

BOTT, SG ^{[1
]}

RICHMOND, MG ^{[1
]}

机构：

[1] UNIV N TEXAS, DEPT CHEM, CTR ORGANOMET RES & EDUC, DENTON, TX 76203 USA

来源：

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY | 1995年 / 25卷 / 06期

关键词：

PIANO-STOOL COMPOUND; QUINOXALINEDIOL; HUCKEL;

D O I：

10.1007/BF01796051

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The reaction between Cp*Ru(NO)Cl-2 and the heterocyclic compound 2,3-quinoxalinediol in the presence of methanolic KOH leads to the formation of the new piano-stool compound Cp*Ru(NO)(2,3-quinoxalinediolate) (1). Product isolation and characterization by solution spectroscopic methods (H-1 and C-13 NMR and IR) are described. The solid-state structure of Cp*Ru(NO)(2,3-quinoxalinediolate) confirms the replacement of each chloride ligand in Cp*Ru(NO)Cl-2 by an oxygen group of the 2,3-quinoxalinediol ligand. Cp*Ru(NO)(2,3-quinoxalinediolate) crystallizes in the orthorhombic space group Pbca, a = 14.846(1) Angstrom, b = 12.718(1) Angstrom, c = 18.255(2) Angstrom, V = 3446.7(5) Angstrom(3), Z = 8, d(calc) = 1.643 g . cm(-3); R = 0.0364, R(w) = 0.0393 for 1245 observed reflections with I > 3 sigma(I). The observed Ru-N-O bond angle of 156.3(7)degrees in the X-ray structure of 1 confirms the nonlinear nature of the nitrosyl linkage. This bend in the nitrosyl moiety away from the quinoxalinediolate ligand presumably results from solid-state packing forces and does not derive from electronic interactions, on the basis of extended Huckel molecular orbital calculations. The MO properties of 1 are compared with other Cp*Ru(NO)-substituted complexes previously synthesized in these laboratories.

引用

页码：283 / 290

页数：8

共 42 条

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