Rezende dos Santos, Leonardo Humberto; Macchi, Piero (2016). The Role of Hydrogen Bond in Designing Molecular Optical Materials. Crystals, 6(4), p. 43. MDPI 10.3390/cryst6040043
|
Text
crystals-06-00043.pdf - Published Version Available under License Creative Commons: Attribution (CC-BY). Download (1MB) | Preview |
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 > Department of Chemistry, Biochemistry and Pharmaceutical Sciences (DCBP) |
UniBE Contributor: |
Rezende dos Santos, Leonardo Humberto, Macchi, Piero |
Subjects: |
500 Science > 570 Life sciences; biology 500 Science > 540 Chemistry |
ISSN: |
2073-4352 |
Publisher: |
MDPI |
Funders: |
[4] Swiss National Science Foundation |
Language: |
English |
Submitter: |
Piero Macchi |
Date Deposited: |
25 Apr 2016 10:06 |
Last Modified: |
07 Aug 2024 15:45 |
Publisher DOI: |
10.3390/cryst6040043 |
BORIS DOI: |
10.7892/boris.81132 |
URI: |
https://boris.unibe.ch/id/eprint/81132 |
Actions (login required)
 |
Edit item |