An unprecedented coordination mode of the tris(pyrazolyl)methane donor set in {[Ph2(O)POCH2C(pz)3 Ag]2 (THF)2}(BF4)2: kappa2-kappa1 bimetallic, N(sigma)/N(pi) chelating

Daniel L Reger; Radu F Semeniuc; Burjor Captain; Mark D Smith

doi:10.1021/ic0501162

An unprecedented coordination mode of the tris(pyrazolyl)methane donor set in {[Ph2(O)POCH2C(pz)3 Ag]2 (THF)2}(BF4)2: kappa2-kappa1 bimetallic, N(sigma)/N(pi) chelating

Inorg Chem. 2005 May 2;44(9):2995-7. doi: 10.1021/ic0501162.

Authors

Daniel L Reger¹, Radu F Semeniuc, Burjor Captain, Mark D Smith

Affiliation

¹ Department of Chemistry and Biochemistry, University of South Carolina, Columbia, South Carolina 29208, USA. Reger@mail.chem.sc.edu

PMID: 15847399
DOI: 10.1021/ic0501162

Abstract

The structure of the compound {[Ph2(O)POCH2C(pz)3 Ag]2 (THF)2}(BF4)2 (pz = pyrazolyl ring) revealed a new coordination mode for the tris(pyrazolyl)methane donor set: two pyrazolyl rings bridging the same two silvers atoms using normal sigma-type orbitals on the nitrogen donor atoms while the third pyrazolyl ring coordinates side-on to one of the silver atoms with a nitrogen-based pi-type orbital. The dimeric arrangement is also supported by a weak silver-silver interaction. This bonding description is supported by Fenske-Hall molecular orbital calculations.