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Extremely Strong s 2 – s 2 Closed‐Shell Interactions
Author(s) -
Wesendrup Ralf,
Schwerdtfeger Peter
Publication year - 2000
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/(sici)1521-3773(20000303)39:5<907::aid-anie907>3.0.co;2-m
Subject(s) - polarizability , dipole , open shell , dissociation (chemistry) , atomic physics , bond dissociation energy , shell (structure) , physics , shell model , cluster (spacecraft) , interaction energy , molecular physics , chemistry , materials science , quantum mechanics , molecule , computer science , composite material , programming language
Closed‐shell interactions are generally assumed to be weak but relativistic coupled‐cluster calculations (see figure) reveal that the s 2 ‐s 2 system Au − +Ba has an unusually high dissociation energy of 143 kJ mol −1 . The main bond contribution is a charge‐induced dipole interaction that profits from a relativistically contracted bond length and the high dipole polarizability for barium.