Origin of different coordination polyhedra for Cu[CF{sub 3}C(O)CHC(O)CF{sub 3}]{sub 2}L (L = H{sub 2}O, NH{sub 3})
- Indiana Univ., Bloomington, IN (United States)
Cu(hfacac){sub 2}(NH{sub 3})(hfacac = CF{sub 3}C(O)CHC(O)CF{sub 3}{sup {minus}}) is shown to have a trigonal-bipyramidal structure with Cu-O (axial) = 1.945(3) {angstrom}, Cu-O (equatorial) = 2.075(3) {angstrom} and Cu-N = 1.933(6) {angstrom}. This contrasts with the square-pyramidal structure of Cu(hfacac){sub 2}(H{sub 2}O), which has a long (2.204(3) {angstrom}) Cu-OH{sub 2} bond. The ammine complex retains its NH{sub 3} ligand upon vacuum sublimation, while the H{sub 2}O complex loses water. The difference in coordination geometry and Cu-L distance (L = H{sub 2}O, NH{sub 3}) is traced to minimizing {sigma} antibonding interactions with the stronger ligand L, which, by the criterion of 10Dq, is NH{sub 3}. Crystal data ({minus}67 {degrees}C): a = 20.594(6) {angstrom}, b = 8.881(2) {angstrom}, c = 8.619(2) {angstrom}, {beta} = 104.49(1){degrees} with Z = 4 in space group C2/c.
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- FG02-90ER45427
- OSTI ID:
- 476864
- Journal Information:
- Inorganic Chemistry, Journal Name: Inorganic Chemistry Journal Issue: 21 Vol. 34; ISSN 0020-1669; ISSN INOCAJ
- Country of Publication:
- United States
- Language:
- English
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