The Interaction Strength, Frequency-shifts and Covalence of the C2H4O∙∙∙HOCl and C2H5N∙∙∙HOCl Heterocyclic Complexes
A theoretical study of the structural parameters, electronic properties and vibration modes of the C2H4O∙∙∙HOCl and C2H5N∙∙∙HOCl complexes. The great particularity of these complexes is the O–Cl s-hole, which is considered a proton donor center due to the depletion of charge density along the bondin...
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| Format: | Article |
| Language: | English |
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Universidade Federal de Mato Grosso do Sul
2017-05-01
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| Series: | Orbital: The Electronic Journal of Chemistry |
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| Online Access: | https://periodicos.ufms.br/index.php/orbital/article/view/16501 |