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Geometry and binding energy of ClF and ClF3

✍ Scribed by Peter Scharf; Reinhart Ahlrichs

Book ID
107942119
Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
577 KB
Volume
100
Category
Article
ISSN
0301-0104

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## Abstract Quantum chemical calculations have been performed to study the single‐electron halogen bonds in HO···ClF and HS···ClF complexes. The calculation methods have a larger effect on the S···Cl halogen bond than on the O···Cl one. The interaction strength in HO···ClF complex is stronger than