Premium
TI I ‐TI I Interactions in the Molecular State—an MO Analysis
Author(s) -
Janiak Christoph,
Hoffmann Roald
Publication year - 1989
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.198916881
Subject(s) - ligand (biochemistry) , molecule , metal , crystallography , solid state , chemistry , materials science , physics , receptor , organic chemistry , biochemistry
Theoretical considerations indicate Tl I ‐Tl I bonding with a Tl‐Tl distance of 363 pm, as observed in 1 . Calculations on HTl … TlH show that the ligand‐metal metal‐ligand angle is the determining factor with respect to s‐p hybridization, and thus for the extent of bonding in this subshell, which is formally closed through an s 2 ‐s 2 interaction. The trans disposition found in 1 end HTl…TlH is related to the bending in simple molecules such as NH 3 and H 2 O, as well as in R 2 SnSnR 2 systems.