title: One-step formation of cyclometallated Au(III) N,S-heterocyclic carbene: crystallographic analysis.
abstract: Gold(I) N,S-heterocyclic carbene AuBr(NSHC) (NSHC = N-allylbenzothiazolin-2-ylidene) (1) with an allyl pendant is oxidised by iodine to give [AuI2(NSHC)2]+[I3]- (2) and a cyclometallated byproduct AuBr2(-C6H4SCNCH2CHCH2Br-C,C) (3). The latter can be prepared directly from bromination of 1. Similar reaction with the crotyl (but-2-en-1-yl) derivative AuBr(NSHC) (NSHC = N-crotylbenzothiazolin-2-ylidene) (4) gives an oxidative addition product AuBr3(C6H4SCNCH2CHCHCH3) (5). X-Ray single-crystal crystallographic analysis of 3 reveals a 5-membered cyclometallated ring in a sq planar metal that gives two types of AuIII-C bonds. Similar structural analysis has also been carried out in 1, 2 and 5.
authors.affiliation: Department of Chemistry, National University of Singapore, 3 Science Drive 3, Kent Ridge, Singapore117543.
authors.forename: Xiaoyan
authors.initials: X
authors.lastname: Han
authors.forename: Lip Lin
authors.initials: LL
authors.lastname: Koh
authors.forename: Zhiqiang
authors.initials: Z
authors.lastname: Weng
authors.forename: T S Andy
authors.initials: TS
authors.lastname: Hor
mesh_terms: D018360:Crystallography, X-Ray; D006046:Gold / Q000737:chemistry*; D006571:Heterocyclic Compounds / Q000737:chemistry*; D008697:Methane / Q000031:analogs & derivatives* / Q000737:chemistry; D008958:Models, Molecular; D015394:Molecular Structure; D050607:Organogold Compounds / Q000138:chemical synthesis* / Q000737:chemistry; D013237:Stereoisomerism
chemical_list: D006571:Heterocyclic Compounds; D050607:Organogold Compounds; C030011:carbene; D006046:Gold; D008697:Methane