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Photophysics of indole-2-carboxylic acid in an aqueous environment studied by fluorescence spectroscopy in combination with ab initio calculations.

Huijser, Annemarie LU ; Rode, Michał F; Corani, Alice LU ; Sobolewski, Andrzej L and Sundström, Villy LU (2012) In Physical chemistry chemical physics : PCCP 14(6). p.2078-2086
Abstract
The photo-physics and -chemistry of indoles are known to be highly complex and strongly dependent on their precise molecular structure and environment. Combination of spectroscopic analysis with quantum chemical calculations should be a powerful tool to unravel precise excited state deactivation mechanisms. At the same time, combined studies are seldom and likely far from trivial. In this work we explore the feasibility of combining spectroscopic and quantum-chemical data into one consistent model. The molecule of choice is indole-2-carboxylic acid (ICA) in aqueous media. Excited state dynamics are determined by time-resolved fluorescence experiments, while excited state reaction pathways of ICA-H(2)O clusters are explored by ab initio... (More)
The photo-physics and -chemistry of indoles are known to be highly complex and strongly dependent on their precise molecular structure and environment. Combination of spectroscopic analysis with quantum chemical calculations should be a powerful tool to unravel precise excited state deactivation mechanisms. At the same time, combined studies are seldom and likely far from trivial. In this work we explore the feasibility of combining spectroscopic and quantum-chemical data into one consistent model. The molecule of choice is indole-2-carboxylic acid (ICA) in aqueous media. Excited state dynamics are determined by time-resolved fluorescence experiments, while excited state reaction pathways of ICA-H(2)O clusters are explored by ab initio calculations. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical chemistry chemical physics : PCCP
volume
14
issue
6
pages
2078 - 2086
publisher
Royal Society of Chemistry
external identifiers
  • wos:000299290700028
  • pmid:22234639
  • scopus:84856710323
ISSN
1463-9084
DOI
10.1039/c2cp22958g
language
English
LU publication?
yes
id
01692ac4-e093-4a2c-a1e6-b1f5f65f96fd (old id 2336557)
date added to LUP
2012-02-08 11:13:50
date last changed
2016-10-28 12:14:35
@article{01692ac4-e093-4a2c-a1e6-b1f5f65f96fd,
  abstract     = {The photo-physics and -chemistry of indoles are known to be highly complex and strongly dependent on their precise molecular structure and environment. Combination of spectroscopic analysis with quantum chemical calculations should be a powerful tool to unravel precise excited state deactivation mechanisms. At the same time, combined studies are seldom and likely far from trivial. In this work we explore the feasibility of combining spectroscopic and quantum-chemical data into one consistent model. The molecule of choice is indole-2-carboxylic acid (ICA) in aqueous media. Excited state dynamics are determined by time-resolved fluorescence experiments, while excited state reaction pathways of ICA-H(2)O clusters are explored by ab initio calculations.},
  author       = {Huijser, Annemarie and Rode, Michał F and Corani, Alice and Sobolewski, Andrzej L and Sundström, Villy},
  issn         = {1463-9084},
  language     = {eng},
  number       = {6},
  pages        = {2078--2086},
  publisher    = {Royal Society of Chemistry},
  series       = {Physical chemistry chemical physics : PCCP},
  title        = {Photophysics of indole-2-carboxylic acid in an aqueous environment studied by fluorescence spectroscopy in combination with ab initio calculations.},
  url          = {http://dx.doi.org/10.1039/c2cp22958g},
  volume       = {14},
  year         = {2012},
}