Chemical Research in Chinese Universities ›› 1992, Vol. 8 ›› Issue (4): 410-414.
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HUANG Yuan-he, XIE Qian, LIU Ruo-zhuang
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Supported by the National Natural Science Foundation of China;the Young Teacher's Foundation of the State Education Commission of China
Abstract: The results of SCF CNDO-CO calculation on polymeric [(η5,μ-2,3-dihydro-1, 3-di-borolyl)M](M=Cr, Mn, Fe, Co, Ni) indicate that polydecker sandwich compounds with odd valence electrons in each stacking unit (C3B2H5)M have Peierls distorted structures, while those with even valence electrons are favorable to the formation of regular structures. The Band structures show that both LUand HObands are d-bands for all of the polydecker sandwich compounds studied.
Key words: Polydecker sandwich compound, C3B2H5ligand, Band structure
HUANG Yuan-he, XIE Qian, LIU Ruo-zhuang . Quantum Chemical Studies on Polydecker Sandwich Compounds with C3B2H5Ligand[J]. Chemical Research in Chinese Universities, 1992, 8(4): 410-414.
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