Electronic structure of the mononuclear Ag(ii) complex [Ag([18]aneS4O2)]2+ ([18]aneS4O2 = 1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane)

Huang, D., Blake, A. J., McInnes, E. J.L., McMaster, J., Davies, E. S., Wilson, C. , Wolowska, J. and Schröder, M. (2008) Electronic structure of the mononuclear Ag(ii) complex [Ag([18]aneS4O2)]2+ ([18]aneS4O2 = 1,10-dioxa-4,7,13,16-tetrathiacyclooctadecane). Chemical Communications, 2008(11), pp. 1305-1307. (doi: 10.1039/B717647C) (PMID:18389115)

Abstract

The structure of [Ag([18]aneS4O2)](PF6)2·CH2Cl2 shows a highly unusual and unexpected boat conformation for the macrocycle with square-planar S4-coordination at the formal Ag(II) centre and the two ether O-centres lying on the same side of the S4 plane; the SOMO in [Ag([18]aneS4O2)]2+ possesses 22.7% Ag 4dxy character, as determined by multi-frequency EPR spectroscopy and supported by DFT calculations.

• Item Type: Articles
• Status: Published
• Refereed: Yes
• Glasgow Author(s) Enlighten ID: Wilson, Dr Claire
• Authors: Huang, D., Blake, A. J., McInnes, E. J.L., McMaster, J., Davies, E. S., Wilson, C., Wolowska, J., and Schröder, M.
• College/School: College of Science and Engineering > School of Chemistry
• Journal Name: Chemical Communications
• Publisher: Royal Society of Chemistry
• ISSN: 1359-7345
• ISSN (Online): 1364-548X
• Published Online: 17 January 2008