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[Ga(C 5 H 5 )]: Synthesis, Identification, and Ab Initio Investigations
Author(s) -
Loos Dagmar,
Schnöckel Hansgeorg,
Gauss Jürgen,
Schneider Uwe
Publication year - 1992
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199213621
Subject(s) - ab initio , ab initio quantum chemistry methods , cyclopentadienyl complex , computational chemistry , chemistry , crystallography , spectroscopy , materials science , molecule , physics , organic chemistry , catalysis , quantum mechanics
[GaCpl] is monomeric and has C 5v symmetry . This last cyclopentadienyl compound of an element in the third main group in the oxidation state I was obtained from GaCl and [MgCp 2 ]. The structure was examined by spectroscopy and detailed ab initio calculations (structure shown here).