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Crystals 2016, 6(4), 43;

The Role of Hydrogen Bond in Designing Molecular Optical Materials

Department of Chemistry and Biochemistry, University of Bern, Freiestrasse 3, 3027 Bern, Switzerland
Authors to whom correspondence should be addressed.
Academic Editor: Sławomir J. Grabowski
Received: 2 February 2016 / Revised: 6 April 2016 / Accepted: 7 April 2016 / Published: 13 April 2016
(This article belongs to the Special Issue Analysis of Hydrogen Bonds in Crystals)
Full-Text   |   PDF [1935 KB, uploaded 13 April 2016]   |  


In this perspective article, we revise some of the empirical and semi-empirical strategies for predicting how hydrogen bonding affects molecular and atomic polarizabilities in aggregates. We use p-nitroaniline and hydrated oxalic acid as working examples to illustrate the enhancement of donor and acceptor functional-group polarizabilities and their anisotropy. This is significant for the evaluation of electrical susceptibilities in crystals; and the properties derived from them like the refractive indices. View Full-Text
Keywords: hydrogen bonds; atomic polarizabilities; optical properties; electron density hydrogen bonds; atomic polarizabilities; optical properties; electron density

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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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Dos Santos, L.H.R.; Macchi, P. The Role of Hydrogen Bond in Designing Molecular Optical Materials. Crystals 2016, 6, 43.

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