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[Na(THF)2Cr(N3N)]: The first trigonal monopyramidal chromium(II) complex.
- Source :
-
Inorganic chemistry [Inorg Chem] 2003 Nov 03; Vol. 42 (22), pp. 6974-6. - Publication Year :
- 2003
-
Abstract
- Reduction of [Cr(N(3)N)] (1) [(N(3)N)(3)(-) = ((SiMe(3)NCH(2)CH(2))(3)N)(3)(-)] with sodium powder in THF affords the yellow, extremely air-sensitive amidochromate(II) [Na(THF)(2)Cr(N(3)N)] (2) in good yield. Complex 2 has an effective magnetic moment of 5.1 mu(B) indicative of a d(4) high-spin electronic configuration. (1)H NMR spectroscopy in solution and single-crystal X-ray crystallography show that compound 2 is composed of idealized C(s) symmetric contact ion pairs, in which trigonal-monopyramidal [Cr(II)(N(3)N)](-) anions are linked to the [Na(THF)(2)](+) countercations by two bridging amide ligands. DFT calculations of 1, 2, and the anion [Cr(N(3)N)](-) at the RI-BP86/TZVPP level of theory provide in combination with extended Hückel calculations a rationale for the observed structural changes from 1 to 2.
Details
- Language :
- English
- ISSN :
- 0020-1669
- Volume :
- 42
- Issue :
- 22
- Database :
- MEDLINE
- Journal :
- Inorganic chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 14577759
- Full Text :
- https://doi.org/10.1021/ic0349961