Theoretical studies on hydrogen bonding inπ-electron systems: A note on the structural features of diacetylene-hydrogen fluoride complexes
Chitrani Medhi S P Bhattacharyya
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Ab initio supermolecular SCF calculations at the STO-3G level are reported for the diacetylene-hydrogen fluoride complexes. The reverse σ-complex is predicted to have somewhat higher stability and H-bond strength than the π-complexes.
Chitrani Medhi1 S P Bhattacharyya1
Volume 135, 2023
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