Na(THF)2Cr(N3N)]: The first trigonal monopyramidal chromium(II) complex |
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Authors: | Filippou Alexander C Schneider Sven Schnakenburg Gregor |
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Institution: | Institut für Chemie, Humboldt-Universit?t zu Berlin, Brook-Taylor Str. 2, 12489 Berlin, Germany. filippou@chemie.hu-berlin.de |
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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. |
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