Improved the optical nonlinearity of carbazole based chromophores via molecular engineering: A DFT approach

Improved the optical nonlinearity of carbazole based chromophores via molecular engineering: A DFT approach

The present investigation was based on designing of carbazole based derivatives (DTCFD1–DTCFD8) having D1-π-D2-π-A architecture from DTCFR, upon substituting acceptor motifs for nonlinear optical (NLO) materials. M06-2X/6-311G(d,p) level was accomplished to explore the optoelectronic behavior of des...

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Bibliographic Details
Main Authors: Muhammad Khalid, Sidra Yasmeen, Sarfraz Ahmed, Muhammad Adnan Asghar, Muhammad Imran, Ataualpa A.C. Braga, Suvash Chandra Ojha
Format: Article
Language:English
Published: Elsevier 2024-05-01
Series:Arabian Journal of Chemistry
Subjects:
Carbazole-based compounds
Push-pull architecture
NBOs analysis
FMOs
NLO materials
Online Access:http://www.sciencedirect.com/science/article/pii/S1878535224001552

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http://www.sciencedirect.com/science/article/pii/S1878535224001552

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