Photophysics of indole-2-carboxylic acid in an aqueous environment studied by fluorescence spectroscopy in combination with ab initio calculations.
(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)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/2336557
- author
- Huijser, Annemarie LU ; Rode, Michał F ; Corani, Alice LU ; Sobolewski, Andrzej L and Sundström, Villy LU
- organization
- publishing date
- 2012
- 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
- pmid:22234639
- scopus:84962375343
- ISSN
- 1463-9084
- DOI
- 10.1039/c2cp22958g
- language
- English
- LU publication?
- yes
- additional info
- The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Chemical Physics (S) (011001060)
- id
- 01692ac4-e093-4a2c-a1e6-b1f5f65f96fd (old id 2336557)
- date added to LUP
- 2016-04-01 13:51:29
- date last changed
- 2022-02-19 07:51:57
@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}}, doi = {{10.1039/c2cp22958g}}, volume = {{14}}, year = {{2012}}, }