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Electrostatics and Dispersion in X–H···Y (X = C, N, O; Y = N, O) Hydrogen Bonds and Their Role in X–H Vibrational Frequency Shifts

[Image: see text] The frequency shifts of donor stretching vibration in X–H···Y (X = C, N, O; Y = N, O) hydrogen-bonded complexes of phenylacetylene, indole, and phenol are linearly correlated with the electrostatic component of the interaction energy. This linear correlation suggests that the elect...

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Detalles Bibliográficos
Autores principales:	Sen, Saumik, Patwari, G. Naresh
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2018
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6644087/ https://www.ncbi.nlm.nih.gov/pubmed/31458423 http://dx.doi.org/10.1021/acsomega.8b01802

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