Journal ArticleDOI
Photoinduced intramolecular charge transfer in methyl ester of N,N′-Dimethylaminonaphthyl-(acrylic)-acid: Spectroscopic measurement and quantum chemical calculations
TLDR
In this paper, the excited state intramolecular charge transfer process of a synthesized donor-acceptor naphthalene chromophoric system methyl ester of N, N ′-Dimethylaminonaphthyl-(acrylic)-acid (MDMANA) has been investigated spectroscopically in combination with quantum chemical calculation.Abstract:
The excited state intramolecular charge transfer process of a synthesized donor–acceptor naphthalene chromophoric system methyl ester of N , N ′-Dimethylaminonaphthyl-(acrylic)-acid (MDMANA) has been investigated spectroscopically in combination with quantum chemical calculation. Apart from the local emission the molecule shows a solvent polarity dependent low energy emission from the charge transfer excited state. In polar protic solvents ground state hydrogen bonded clusters of MDMANA are formed which also shows low energy emission. Structural calculation and potential energy surfaces along both the donor and acceptor twist coordinates by considering twisted intramolecular charge transfer (TICT) model at density functional theory (DFT) level predict that a stabilized twisting geometry is responsible for charge transfer emission. The solvent polarity effect on the emission spectra has been explored using time-dependent density functional theory-polarizable continum model (TDDFT-PCM) which correlates well with the experimental spectral data.read more
Citations
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Journal ArticleDOI
The role of hydrogen bonding in excited state intramolecular charge transfer.
TL;DR: This perspective focuses on the specific role played by hydrogen bonding of the solvent with the donor and the acceptor, and by proton transfer in the ICT process.
Journal ArticleDOI
Tuning the intramolecular charge transfer emission from deep blue to green in ambipolar systems based on dibenzothiophene S,S-dioxide by manipulation of conjugation and strength of the electron donor units.
Kathryn C. Moss,Konstantinos N. Bourdakos,Vandana Bhalla,Vandana Bhalla,Kiran T. Kamtekar,Martin R. Bryce,Mark A. Fox,Helen L. Vaughan,Fernando B. Dias,Andrew P. Monkman +9 more
TL;DR: The efficient synthesis and photophysical properties of a series of ambipolar donor-acceptor-donor systems is described where the acceptor is dibenzothiophene S,S-dioxide and the donor is fluorene, carbazole, or arylamine.
Journal ArticleDOI
A multi-sensing fluorescent compound derived from cyanoacrylic acid
Xiqi Zhang,Zhiyong Yang,Zhenguo Chi,Meina Chen,Bingjia Xu,Chengcheng Wang,Siwei Liu,Yi Zhang,Jiarui Xu +8 more
TL;DR: In this article, a new cyanoacrylic acid derivative of carbazole-triphenylethylene as a fluorescent probe has been synthesized and characterized, which exhibits not only aggregation-induced effect (AIE) properties, but also interesting fluorescence multi-responses to solvents, water, ethanol and metal ions due to its chemical structure.
Journal ArticleDOI
Interaction of human serum albumin with charge transfer probe ethyl ester of N,N-dimethylamino naphthyl acrylic acid: An extrinsic fluorescence probe for studying protein micro-environment
TL;DR: The results of fluorescence quenching of EDMANA by acrylamide, Fluorescence Resonance Energy Transfer (FRET) and Red Edge Excitation Shift (REES) studies throw light on the accessibility to the probe bound to HSA and hence indicate the probable location of the probe within the hydrophobic cavity of HSA.
Journal ArticleDOI
Evidence for excited state intramolecular charge transfer reaction in donor–acceptor molecule 5-(4-dimethylamino-phenyl)-penta-2,4-dienoic acid methyl ester: Experimental and quantum chemical approach
TL;DR: In this paper, potential energy curves for the ICT reaction were evaluated along the donor twist angle at DFT and time dependent density functional theory (TDDFT) levels for the ground and excited states, respectively, using B3LYP hybrid functional and 6-31G basis set.
References
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Journal ArticleDOI
Structural Changes Accompanying Intramolecular Electron Transfer: Focus on Twisted Intramolecular Charge-Transfer States and Structures
TL;DR: The Rehybridization of the Acceptor (RICT) and Planarization ofThe Molecule (PICT) III is presented, with a comparison of the effects on yield and radiationless deactivation processes.
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The solvatochromic comparison method. 2. The .alpha.-scale of solvent hydrogen-bond donor (HBD) acidities
R. W. Taft,Mortimer J. Kamlet +1 more
Journal ArticleDOI
Classification of Spectra of Cata-Condensed Hydrocarbons
TL;DR: In this paper, the classification of π-orbitals in a cata-condensed aromatic system is like that of the orbitals of a free electron traveling in a one-dimensional loop of constant potential around the perimeter.
Journal ArticleDOI
Charge Separation in Excited States of Decoupled Systems—TICT Compounds and Implications Regarding the Development of New Laser Dyes and the Primary Process of Vision and Photosynthesis
TL;DR: The dual fluorescence of certain aromatic systems has greatly advanced in recent years, and the accompanying large charge separation has been linked to a twisted (or small overlap) arrangement of the chromophores as mentioned in this paper.
Journal ArticleDOI
Fast Evaluation of Geometries and Properties of Excited Molecules in Solution: A Tamm-Dancoff Model with Application to 4-Dimethylaminobenzonitrile
TL;DR: In this article, a method to evaluate ab initio energy, wave function, and gradient of a solvated molecule in an electronically excited state is presented, which extends the Polarizable Continuum.