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Volumn 12, Issue 3, 2009, Pages 252-254

Synthesis, X-ray structure, spectroscopic properties, and theoretical investigations of dinuclear imidazole molybdenum(VI) complex with long Mo{double bond, long}O bands

(4) Lin, Yan Wen a Tong, Yi Ping a Yang, Chi a Lin, Yan Ru a

a HANSHAN NORMAL UNIVERSITY (China)

Author keywords

Crystal structure; DFT; Imidazole; LMCT; Molybdenum(VI); Spectroscopic properties

Indexed keywords

EID: 60749085580 PISSN: 13877003 EISSN: None Source Type: Journal
DOI: 10.1016/j.inoche.2009.01.001 Document Type: Article

Times cited : (14)

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- Synthesis of 1: To a solution of (NH4)2MoO4 (0.2 mmol, 0.038 g) in 10 mL water was added imi (1.0 mmol, 0.068 g, after stirred vigorously for 20 min, the mixed system was transferred into a 23 ml Teflon-lined stainless steel autoclave, sealed and heated inside a furnace to 150 °C for three days, then slowly cooled to room temperature at a rate of 5 °C per an hour. Finally, colorless block crystals of 1 were recovered by filtration in approximate 85% yield based on (NH4)2MoO4. Anal. Calcd. for C12H16Mo2N8O6, C, 25.73; H, 2.88; N, 20.00; Found: C, 25.80; H, 2.85; N, 19.95. FT-IR cm-1, KBr, 3451 s, 3067 w, 3028 w, 1627 w, 1604 s, 1573 w, 1490 m, 1448 s, 1363 w, 1241 w, 1221 m, 1153 w, 1079 m, 1043 m, 1016 m, 944 m, 867 w, 756 s, 688 s, 441 w, 597 s. The characteristic band at 944 cm-1 in FTIR spectrum is due to the Mo{double bond, lo
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- 2 by SHELXTL-97. All nonhydrogen atoms were located from the initial solution and refined with anisotropic thermal parameters. The hydrogen atoms were positioned geometrically and refined with fixed isotropic thermal parameters.

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