Dual XH–π Interaction of Hexafluoroisopropanol with Arenes
The dual XH (OH and CH) hydrogen-bond-donating property of 1,1,1,3,3,3-hexafluoroisopropanol (HFIP) and the strong dual XH–π interaction with arenes were firstly disclosed by theoretical studies. Here, the high accuracy post-Hartree–Fock methods, CCSD(T)/CBS, reveal the interaction energy of HFIP/be...
Main Authors: | Le Lu, Ruimao Hua |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2021-07-01
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Series: | Molecules |
Subjects: | |
Online Access: | https://www.mdpi.com/1420-3049/26/15/4558 |
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