Photoinduced Intramolecular Charge Transfer Reaction in (E)-3-(4-Methylamino-phenyl)-acrylic Acid Methyl Ester:  A Fluorescence Study in Combination with TDDFT Calculation

A donor−acceptor substituted aromatic system (E)-3-(4-Methylamino-phenyl)-acrylic acid methyl ester (MAPAME) has been synthesized, and its photophysical behavior obtained spectroscopically has been compared with the theoretical results. The observed dual fluorescence from MAPAME has been assigned to...

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Published inThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Vol. 110; no. 44; pp. 12089 - 12095
Main Authors Chakraborty, Amrita, Kar, Samiran, Nath, D. N, Guchhait, Nikhil
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 09.11.2006
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Abstract A donor−acceptor substituted aromatic system (E)-3-(4-Methylamino-phenyl)-acrylic acid methyl ester (MAPAME) has been synthesized, and its photophysical behavior obtained spectroscopically has been compared with the theoretical results. The observed dual fluorescence from MAPAME has been assigned to emission from locally excited and twisted intramolecular charge transfer states. The donor and acceptor angular dependency on the ground and excited states potential energy surfaces have been calculated both in vacuo and in acetonitrile solvent using time dependent density functional theory (TDDFT) and TDDFT polarized continuum model (TDDFT-PCM), respectively. Calculation predicts that a stabilized twisted excited state is responsible for red shifted charge transfer emission.
AbstractList A donor-acceptor substituted aromatic system (E)-3-(4-Methylamino-phenyl)-acrylic acid methyl ester (MAPAME) has been synthesized, and its photophysical behavior obtained spectroscopically has been compared with the theoretical results. The observed dual fluorescence from MAPAME has been assigned to emission from locally excited and twisted intramolecular charge transfer states. The donor and acceptor angular dependency on the ground and excited states potential energy surfaces have been calculated both in vacuo and in acetonitrile solvent using time dependent density functional theory (TDDFT) and TDDFT polarized continuum model (TDDFT-PCM), respectively. Calculation predicts that a stabilized twisted excited state is responsible for red shifted charge transfer emission.
A donor−acceptor substituted aromatic system (E)-3-(4-Methylamino-phenyl)-acrylic acid methyl ester (MAPAME) has been synthesized, and its photophysical behavior obtained spectroscopically has been compared with the theoretical results. The observed dual fluorescence from MAPAME has been assigned to emission from locally excited and twisted intramolecular charge transfer states. The donor and acceptor angular dependency on the ground and excited states potential energy surfaces have been calculated both in vacuo and in acetonitrile solvent using time dependent density functional theory (TDDFT) and TDDFT polarized continuum model (TDDFT-PCM), respectively. Calculation predicts that a stabilized twisted excited state is responsible for red shifted charge transfer emission.
Author Chakraborty, Amrita
Kar, Samiran
Guchhait, Nikhil
Nath, D. N
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BackLink https://www.ncbi.nlm.nih.gov/pubmed/17078602$$D View this record in MEDLINE/PubMed
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Snippet A donor−acceptor substituted aromatic system (E)-3-(4-Methylamino-phenyl)-acrylic acid methyl ester (MAPAME) has been synthesized, and its photophysical...
A donor-acceptor substituted aromatic system (E)-3-(4-Methylamino-phenyl)-acrylic acid methyl ester (MAPAME) has been synthesized, and its photophysical...
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Title Photoinduced Intramolecular Charge Transfer Reaction in (E)-3-(4-Methylamino-phenyl)-acrylic Acid Methyl Ester:  A Fluorescence Study in Combination with TDDFT Calculation
URI http://dx.doi.org/10.1021/jp0629846
https://api.istex.fr/ark:/67375/TPS-LGVHZGWZ-P/fulltext.pdf
https://www.ncbi.nlm.nih.gov/pubmed/17078602
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Volume 110
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