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Turning a Transition State into a Minimum—The Nature of the Bonding in Diplumbylene Compounds RPbPbR (R=H, Ar)
Author(s) -
Chen Yu,
Hartmann Michael,
Diedenhofen Michael,
Frenking Gernot
Publication year - 2001
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/1521-3773(20010601)40:11<2051::aid-anie2051>3.0.co;2-d
Subject(s) - bent molecular geometry , maxima and minima , quantum chemical , yield (engineering) , bond length , chemistry , crystallography , state (computer science) , computational chemistry , atomic physics , molecule , physics , thermodynamics , mathematics , organic chemistry , crystal structure , algorithm , mathematical analysis
Quantum‐chemical calculations at the B3LYP level show that the bulky ligands Ar*=2,6‐Ph 2 C 6 H 3 in Ar*PbPbAr* yield the trans ‐bent equilibrium structure shown as the lowest lying energy minimum form. There is no Pb−Pb π bond in Ar*PbPbAr*. The parent compounds PhPbPbPh and HPbPbH have doubly bridged energy minima structures.