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First heterobimetallic Ag I –Co III coordination compound with both bridging and terminal –NO 2 coordination modes: synthesis, characterization, structural and computational studies of (PPh 3 ) 2 Ag I –(μ‐κ 2 O , O ′:κ N ‐NO 2 )–Co III (DMGH) 2 (κ N ‐NO 2 )
Author(s) -
Kia Reza,
Batmanghelich Shiva,
Raithby Paul R.
Publication year - 2018
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229618009257
Subject(s) - chemistry , density functional theory , crystallography , coordination complex , dimethylglyoxime , diimine , cobalt , nitro , ligand (biochemistry) , bridging ligand , atom (system on chip) , stereochemistry , crystal structure , inorganic chemistry , computational chemistry , metal , catalysis , biochemistry , alkyl , receptor , organic chemistry , computer science , embedded system
An unusual heterobimetallic bis(triphenylphosphane)(NO 2 )Ag I –Co III (dimethylglyoximate)(NO 2 ) coordination compound with both bridging and terminal –NO 2 (nitro) coordination modes has been isolated and characterized from the reaction of [CoCl(DMGH) 2 (PPh 3 )] (DMGH 2 is dimethylglyoxime or N , N ′‐dihydroxybutane‐2,3‐diimine) with excess AgNO 2 . In the title compound, namely bis(dimethylglyoximato‐1κ 2 O , O ′)(μ‐nitro‐1κ N :2κ 2 O , O ′)(nitro‐1κ N )bis(triphenylphosphane‐2κ P )cobalt(III)silver(I), [AgCo(C 4 H 7 N 2 O 2 ) 2 (NO 2 ) 2 (C 18 H 15 P) 2 ], one of the ambidentate –NO 2 ligands, in a bridging mode, chelates the Ag I atom in an isobidentate κ 2 O , O ′‐manner and its N atom is coordinated to the Co III atom. The other –NO 2 ligand is terminally κ N ‐coordinated to the Co III atom. The structure has been fully characterized by X‐ray crystallography and spectroscopic methods. Density functional theory (DFT) and time‐dependent density functional theory (TD‐DFT) have been used to study the ground‐state electronic structure and elucidate the origin of the electronic transitions, respectively.