467448-36-8Relevant academic research and scientific papers
Synthesis, structure and possible formation pathway of a novel cobalt carbonyl compound with new type B-O bond, Co(CO)3 (PPh3)2BEt3, and mixed metal Co-Fe-S cluster with possible nonlinear optical property, [Et4N][CoFe2 (CO)8S(PPh3)]
Zhuang, Botao,Sun, Haofen,He, Lingjie,Zhou, Zhangfeng,Lin, Chensheng,Wu, Kechen,Huang, Zixiang
, p. 233 - 238 (2007/10/03)
Reaction of Co(CNS)2 with Fe2S2(CO)6, LiBEt3H and PPh3 in THF-MeCN resulting in a novel cobalt carbonyl complex, Co(CO)3(PPh3)2BEt3 (1) and mixed-metal Co-Fe-S cluster compound, [Et4N]Fe2Co(CO)8S(PPh3)] (2). The structures of 1 and 2 were determined from X-ray three dimension data. Structure studies reveal that 1 is a new cobalt carbonyl complex containing a novel B-O bond of 1.601(5) ? in which the oxygen atom is from metal carbonyl and the B atom is from BEt3 and 2 contained a triangular pyramid mixed-metal Co-Fe-S core [CoFe2S]- with Co-S of 2.189, Fe-S of 2.208, Co-Fe of 2.56 and Fe-Fe of 2.58 ?. Theoretical calculation on 1 and 2 shows that B-O bonding energy of complex 1 is lower than that of normal covalent bonding and 2 possesses a calculated nonlinear optical first molecular hyperpolarizability component of 28.5 × 10-30 esu. The possible formation pathway of 1 and 2 was discussed.
