Structural Characterization and Theoretical Calculations of cis-Dioxo(N-salicylidene-2-aminophenolato)(ethanol)molybdenum(VI) Complexes MoO2(SAP)(EtOH) (SAP = N-salicylidene-2 aminophenolato)

被引：18
作者：
Agustin, Dominique [1 ,2 ]
Bibal, Christine [1 ,2 ]
Neveux, Benjamin [1 ,2 ]
Daran, Jean-Claude [1 ]
Poli, Rinaldo [1 ,3 ]
机构：
[1] Univ Toulouse, UPS, INPT, CNRS,LCC, F-31077 Toulouse, France
[2] Univ Toulouse 3, Inst Univ Technol A, Dept Chim, F-81104 Castres, France
[3] Inst Univ France, F-75005 Paris, France
来源：
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE | 2009年 / 635卷 / 13-14期
关键词：
Molybdenum; X-ray diffraction; Theoretical calculations; Schiff bases; Tridentate ligands; TRIDENTATE SCHIFF-BASE; DIOXOMOLYBDENUM(VI) COMPLEXES; CATALYTIC-PROPERTIES; ACCEPTOR BEHAVIOR; CRYSTAL-STRUCTURE; CHEMISTRY; LIGANDS; EPOXIDATION; BIDENTATE;
D O I：
10.1002/zaac.200900185
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The crystal structure of MoO2(SAP)(EtOH) is reported for the first time. The compound crystallizes in the monoclinic crystallographic system (P2(1)/n, a = 11.0923(3) angstrom, b = 6.9590(2) angstrom, c = 19.4499(5) angstrom, beta = 94.458(1)degrees, V = 1496.82(7) angstrom(3), Z = 4). The molybdenum atom adopts a distorted octahedral arrangement with cis Mo=O bonds, typical for cis-dioxomolybdenum(VI) complexes. The ethanol ligand is situated trans to one oxido ligand. Theoretical calculations in the gas phase were performed to examine the relative stability of MoO2(L)(EtOH) and the [MoO2(L)](2) dimeric form (L = SAP, SAE).
引用
收藏
页码：2120 / 2125
页数：6
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