The Role of Hydrogen Bond in Designing Molecular Optical Materials

oleh: Leonardo H. R. Dos Santos, Piero Macchi

Format: Article
Diterbitkan: MDPI AG 2016-04-01

Deskripsi

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.