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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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Detalhes bibliográficos
Publicado no:ACS Omega
Main Authors: Sen, Saumik, Patwari, G. Naresh
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2018
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6644087/
https://ncbi.nlm.nih.gov/pubmed/31458423
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.8b01802
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