Different solvates of the dinuclear cyclometallated gold(i) complex [Au2(µ-2-C6H4AsMe2)2]: A computational study insight into solvent-effected optical properties

Mirzadeh, N, Drumm, D, Wagler, J, Russo, S and Bhargava, S 2013, 'Different solvates of the dinuclear cyclometallated gold(i) complex [Au2(µ-2-C6H4AsMe2)2]: A computational study insight into solvent-effected optical properties', Dalton Transactions, vol. 42, no. 36, pp. 12883-12890.


Document type: Journal Article
Collection: Journal Articles

Title Different solvates of the dinuclear cyclometallated gold(i) complex [Au2(µ-2-C6H4AsMe2)2]: A computational study insight into solvent-effected optical properties
Author(s) Mirzadeh, N
Drumm, D
Wagler, J
Russo, S
Bhargava, S
Year 2013
Journal name Dalton Transactions
Volume number 42
Issue number 36
Start page 12883
End page 12890
Total pages 8
Publisher Royal Society of Chemistry
Abstract Two solvates of an arsena-aura-metallocyclic molecule, which, apart from the different solvents, have the same molecular stoichiometry, display different optical properties. We develop an ab initio model, benchmarked against X-ray diffraction experiment, to explore the possible causes of this change in behavior. We study the bonding and electronic properties of the crystals, their local environments, and consider possible effects of the solvents used for crystallization.
Subject Physical Chemistry not elsewhere classified
Inorganic Chemistry not elsewhere classified
DOI - identifier 10.1039/c3dt50219h
Copyright notice This journal is © The Royal Society of Chemistry 2013
ISSN 1477-9226
Versions
Version Filter Type
Citation counts: TR Web of Science Citation Count  Cited 4 times in Thomson Reuters Web of Science Article | Citations
Scopus Citation Count Cited 1 times in Scopus Article | Citations
Altmetric details:
Access Statistics: 111 Abstract Views  -  Detailed Statistics
Created: Thu, 15 Jan 2015, 13:42:00 EST by Catalyst Administrator
© 2014 RMIT Research Repository • Powered by Fez SoftwareContact us