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Structural Characterization and Theoretical Calculations of cis ‐Dioxo(N‐salicylidene‐2‐aminophenolato)(ethanol)molybdenum(VI) Complexes MoO 2 (SAP)(EtOH) (SAP = N‐salicylidene‐2 aminophenolato)
Author(s) -
Agustin Dominique,
Bibal Christine,
Neveux Benjamin,
Daran JeanClaude,
Poli Rinaldo
Publication year - 2009
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.200900185
Subject(s) - molybdenum , monoclinic crystal system , chemistry , ligand (biochemistry) , octahedron , crystallography , crystal structure , ethanol , stereochemistry , atom (system on chip) , inorganic chemistry , organic chemistry , biochemistry , receptor , computer science , embedded system
The crystal structure of MoO 2 (SAP)(EtOH) is reported for the first time. The compound crystallizes in the monoclinic crystallographic system ( P 2 1 / n , a = 11.0923(3) Å, b = 6.9590(2) Å, c = 19.4499(5) Å, β = 94.458(1)°, V = 1496.82(7) Å 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 MoO 2 (L)(EtOH) and the [MoO 2 (L)] 2 dimeric form (L = SAP, SAE).