Synthesis, structure and possible formation pathway of a novel cobalt carbonyl compound with new type B
O bond, Co(CO)3(PPh3)
O bond, Co(CO)3(PPh3)
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- 作者：Zhuang ; Botao ; Sun ; Haofen ; He ; Lingjie ; Zhou ; Zhangfeng ; Lin ; Chensheng ; Wu ; Kechen ; Huang ; Zixiang
- 关键词：CoB compound ; CoFeS compound ; Synthesis and structure ; Theoretical chemical calculation
- 刊名：Journal of Organometallic Chemistry
- 出版年：2002
- 出版时间：August 1, 2002
- 年：2002
- 卷：655
- 期：1-2
- 页码：233-238
- 全文大小：318 K
B compound
Fe
文摘
Reaction of Co(CNS)2 with Fe2S2(CO)6, LiBEt3H and PPh3 in THFMeCN resulting in a novel cobalt carbonyl complex, Co(CO)3(PPh3)2BEt3 (1) and mixed-metal CoFeS 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 BO bond of 1.601(5) Å in which the oxygen atom is from metal carbonyl and the B atom is from BEt3 and 2 contained a triangular pyramid mixed-metal CoFeS core [CoFe2S]− with CoS of 2.189, FeS of 2.208, CoFe of 2.56 and FeFe of 2.58 Å. Theoretical calculation on 1 and 2 shows that BO 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.
MeCN resulting in a novel cobalt carbonyl complex, Co(CO)3(PPh3)2BEt3 (1) and mixed-metal CoFeS 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 BO bond of 1.601(5) Å in which the oxygen atom is from metal carbonyl and the B atom is from BEt3 and 2 contained a triangular pyramid mixed-metal CoFeS core [CoFe2S]− with CoS of 2.189, FeS of 2.208, CoFe of 2.56 and FeFe of 2.58 Å. Theoretical calculation on 1 and 2 shows that BO 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.