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Title: Triel bonds within anion ··· anion complexes
The ability of two anions to interact with one another is tested in the context of pairs of TrX 4 − homodimers, where Tr represents any of the triel atoms B, Al, Ga, In, or Tl, and X refers to a halogen substituent F, Cl, or Br. None of these pairs engage in a stable complex in the gas phase, but the situation reverses in water where the two monomers are held together by Tr⋯X triel bonds, complemented by stabilizing interactions between X atoms. Some of these bonds are quite strong, notably those involving TrF 4 − , with interaction energies surpassing 30 kcal mol −1 . Others are very much weaker, with scarcely exothermic binding energies. The highly repulsive electrostatic interactions are counteracted by large polarization energies.  more » « less
Award ID(s):
1954310
NSF-PAR ID:
10326173
Author(s) / Creator(s):
; ; ;
Date Published:
Journal Name:
Physical Chemistry Chemical Physics
Volume:
23
Issue:
44
ISSN:
1463-9076
Page Range / eLocation ID:
25097 to 25106
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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