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The Structure of the Ferrocenyl‐Methyl Cation. Preliminary communication
Author(s) -
Gleiter Rolf,
Seeger Rolf
Publication year - 1971
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19710540431
Subject(s) - chemistry , bent molecular geometry , methylene , atom (system on chip) , crystallography , population , crystal structure , stereochemistry , computational chemistry , medicinal chemistry , organic chemistry , demography , sociology , computer science , embedded system
Using a modified Extended Hückel (S. C. C.) procedure the structure of the ferrocenyl‐methyl cation has been calculated. The result is a structure (V) with about equal overlap population between all FeC bonds. The methylene group is bent towards the iron atom and both rings are tilted.