Journal ArticleDOI
Non-linear optical study of BODIPY-benzimidazole conjugate by solvatochromic, Z-scan and theoretical methods
Shrikant S. Thakare,Mavila C. Sreenath,Subramaniyan Chitrambalam,Isaac H. Joe,Nagaiyan Sekar +4 more
TLDR
In this article, the nonlinear optical (NLO) properties of Bodipy chromophore with benzimidazole moiety at 2-position have been investigated for its NLO properties.About:
This article is published in Optical Materials.The article was published on 2017-02-01. It has received 32 citations till now. The article focuses on the topics: BODIPY.read more
Citations
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Journal ArticleDOI
Recent advances of BODIPY based derivatives for optoelectronic applications
Madhurima Poddar,Rajneesh Misra +1 more
TL;DR: In this article, the photophysical properties of a wide range of π-conjugated BODIPY-based derivatives are discussed, which are having potential applications in organic light-emitting diodes (OLEDs), nonlinear optics (NLOs), sensing, hole-transporting materials (HTMs) and electron-transport materials (ETMs) for perovskite solar cells (PSCs) as well as materials for ultrafast charge transfer.
Journal ArticleDOI
Enhancement of NLO Properties in OBO Fluorophores Derived from Carbazole–Coumarin Chalcones Containing Carboxylic Acid at the N-Alykl Terminal End
TL;DR: In this paper, the nonlinear optical properties of carbazole-coumarin-based chalcones and their OBO complexes of D−π-A and D −π-D−π−A−π -D types with N-alykl chain at the 9 position with carboxylic acid end group are studied in detail.
Journal ArticleDOI
Benzothiazole pyrazole containing emissive azo dyes decorated with ESIPT core: Linear and non linear optical properties, Z scan, optical limiting, laser damage threshold with comparative DFT studies
Chaitannya W. Ghanavatkar,Virendra R. Mishra,Nagaiyan Sekar,Elizabeth Mathew,Sijo S. Thomas,Isaac H. Joe +5 more
TL;DR: In this paper, position isomers of pyrazole-benzothiazoles-pyrazole based azo dyes containing separate with ESIPT core are analyzed for their linear and non-linear optical properties.
Journal ArticleDOI
NLO properties of ester containing fluorescent carbazole based styryl dyes – Consolidated spectroscopic and DFT approach
Manali Rajeshirke,Nagaiyan Sekar +1 more
TL;DR: In this paper, the linear and nonlinear optical properties of new fluorescent styryl dyes based on anchoring ester containing carbazole as donor appended to different acceptor groups to have a conjugated π-system with push-pull geometry are studied.
Journal ArticleDOI
A combined experimental theoretical approach for energy gap determination, photophysical, photostable, optoelectronic, NLO, and organic light emitting diode (OLED) application: Synthesized coumarin derivative
TL;DR: In this paper, a new photostable, light emitting and highly efficient synthesized material to exhibit display property and NLO active materials with good energy gap energy was developed by synthesizing 3,3'-(naphthalen-2-ylmethylene) bis (4-hydroxy-2H-chromen 2-one) (3,3-NHC) molecule via simple catalytic method.
References
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Journal ArticleDOI
Density‐functional thermochemistry. III. The role of exact exchange
TL;DR: In this article, a semi-empirical exchange correlation functional with local spin density, gradient, and exact exchange terms was proposed. But this functional performed significantly better than previous functionals with gradient corrections only, and fits experimental atomization energies with an impressively small average absolute deviation of 2.4 kcal/mol.
Journal ArticleDOI
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
TL;DR: Numerical calculations on a number of atoms, positive ions, and molecules, of both open- and closed-shell type, show that density-functional formulas for the correlation energy and correlation potential give correlation energies within a few percent.
Journal ArticleDOI
Quantum mechanical continuum solvation models.
TL;DR: This paper presents a meta-modelling procedure called "Continuum Methods within MD and MC Simulations 3072", which automates the very labor-intensive and therefore time-heavy and expensive process of integrating discrete and continuous components into a discrete-time model.
Journal ArticleDOI
A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
TL;DR: In this article, a new hybrid exchange-correlation functional named CAM-B3LYP is proposed, which combines the hybrid qualities of B3LYP and the long-range correction presented by Tawada et al.
Journal ArticleDOI
Ab initio study of solvated molecules: A new implementation of the polarizable continuum model
TL;DR: In this article, an efficient version of the polarizable continuum solvation model was implemented in the GAUSSIAN94 package, which exploits a new definition of surface elements area, and a direct formulation of the electrostatic self-consistent problem.