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Edge‐Sharing Binuclear d 8 Complexes with XR Bridges: Theoretical and Structural Database Study of their Molecular Conformation
Author(s) -
Aullón Gabriel,
Ujaque Gregori,
Lledós Agustí,
Alvarez Santiago
Publication year - 1999
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/(sici)1521-3765(19990503)5:5<1391::aid-chem1391>3.0.co;2-c
Subject(s) - bent molecular geometry , ab initio , crystallography , bridging (networking) , enhanced data rates for gsm evolution , ab initio quantum chemistry methods , chemistry , ion , metal , transition metal , materials science , computational chemistry , molecule , computer science , computer network , telecommunications , biochemistry , organic chemistry , catalysis
Coplanar or bent? Binuclear complexes of d 8 transition metal ions appear in a variety of molecular conformations in which the coordination planes around the two metal atoms can be coplanar or bent, and the substituents at the bridging atoms may adopt different orientations (see figure). Ab initio theoretical studies together with a structural database analysis provide a rationale for the experimentally observed structures.