ArticleRSC advances2019
Theoretical study on the electronic structure and second-order nonlinear optical properties of benzannulated or selenophene-annulated expanded helicenes.
Article in RSC advances, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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Who cites it
2 citing papers in PubMed.
- Expanding Chemistry of Expanded Helicenes.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Review
- Electronic structure and second-order nonlinear optical properties of lemniscular [16]cycloparaphenylene compounds.RSC advances · 2020Article
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Authors and funding
6 authors.
Funding
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Abstract
Currently, discovering new materials with superior second-order nonlinear optical (NLO) performance has become a very hot research topic in the fields of chemistry and materials science. Now, density functional theory (DFT) has become a powerful tool to predict the performance of novel materials. In this paper, based on benzannulated and selenophene-annulated expanded helicenes, twenty-six helicenes are designed by introduction donor/acceptor moieties and their combinations at different substituent positions. The geometrical/electronic structures, electronic transition, and second-order NLO properties of these helicenes are full investigated by DFT/TDDFT theory. The investigations show that these helicenes have large first hyperpolarizability values (
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