Medhi, Chitrani ; Bhattacharyya, S. P. (1988) Theoretical studies on hydrogen bonding in π-electron systems: a note on the structural features of diacetylene-hydrogen fluoride complexes Proceedings of the Indian Academy of Sciences - Chemical Sciences, 100 (4). pp. 293-295. ISSN 0253-4134
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Official URL: http://www.ias.ac.in/j_archive/chemsci/100/4/293-2...
Related URL: http://dx.doi.org/10.1007/BF02840538
Abstract
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.
| Item Type: | Article |
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| Source: | Copyright of this article belongs to Indian Academy of Sciences. |
| Keywords: | Ab Initio Supermolecular SCF Calculations; Intermolecular Interactions; Diacetylene-hydrogen Fluoride Complexes; Hydrogen Bonding in π-systems |
| ID Code: | 81940 |
| Deposited On: | 08 Feb 2012 15:32 |
| Last Modified: | 18 May 2016 23:19 |
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