The Role of Hydrogen Bond in Designing Molecular Optical Materials

Rezende dos Santos, Leonardo Humberto; Macchi, Piero (2016). The Role of Hydrogen Bond in Designing Molecular Optical Materials. Crystals, 6(4), p. 43. Molecular Diversity Preservation International MDPI 10.3390/cryst6040043

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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.

Item Type:

Journal Article (Original Article)

Division/Institute:

08 Faculty of Science > Departement of Chemistry and Biochemistry

UniBE Contributor:

Rezende dos Santos, Leonardo Humberto and Macchi, Piero

Subjects:

500 Science > 570 Life sciences; biology
500 Science > 540 Chemistry

ISSN:

2073-4352

Publisher:

Molecular Diversity Preservation International MDPI

Funders:

[4] Swiss National Science Foundation

Language:

English

Submitter:

Piero Macchi

Date Deposited:

25 Apr 2016 10:06

Last Modified:

25 Apr 2016 10:06

Publisher DOI:

10.3390/cryst6040043

BORIS DOI:

10.7892/boris.81132

URI:

https://boris.unibe.ch/id/eprint/81132

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