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Citation: Guo Chunxiao, Liu Juzheng. ELECTRON STRUCTURE OF OPEN-RING SANDWICH COMPOUNDS OF 3d METAL[J]. Acta Physico-Chimica Sinica, ;1987, 3(01): 48-54. doi: 10.3866/PKU.WHXB19870109 shu

ELECTRON STRUCTURE OF OPEN-RING SANDWICH COMPOUNDS OF 3d METAL

1.
Department of Chemist; Institute of Theoritical Chemistry; Jilin; University; Changchun

Received Date: 18 September 1985
Available Online: 15 February 1987

Open-ring pentadienyl sandwich compounds of 3d metal have been investigated by EHMO method in detail. Some properties of und state for these compounds are obtained. The calculated conformation angles for Ti, V, Cr, Fe are 90°, 90°, 83°, 60°respectively, All these are well in agreement with the values t from the ex- periment.
A further discussion has been made on dependence of the stabilities of dif- ferent geometric configuration of open-ring sandwich compounds upon the δ-bond.
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