Additional data for evaluation of the excited state dipole moments of anisole

We present the temperature dependent density, fluorescence emission and absorption spectroscopic data, that are needed for an evaluation of the excited state dipole moment of anisole in ethyl acetate via the methods of thermochromic shifts. Furthermore, the rotationally resolved electronic Stark spe...

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Detalles Bibliográficos
Autores principales: Lindic, Mirko Matthias, Zajonz, Matthias, Hebestreit, Marie-Luise, Schneider, Michael, Meerts, W. Leo, Schmitt, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6197573/
https://www.ncbi.nlm.nih.gov/pubmed/30364665
http://dx.doi.org/10.1016/j.dib.2018.09.110
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author Lindic, Mirko Matthias
Zajonz, Matthias
Hebestreit, Marie-Luise
Schneider, Michael
Meerts, W. Leo
Schmitt, Michael
author_facet Lindic, Mirko Matthias
Zajonz, Matthias
Hebestreit, Marie-Luise
Schneider, Michael
Meerts, W. Leo
Schmitt, Michael
author_sort Lindic, Mirko Matthias
collection PubMed
description We present the temperature dependent density, fluorescence emission and absorption spectroscopic data, that are needed for an evaluation of the excited state dipole moment of anisole in ethyl acetate via the methods of thermochromic shifts. Furthermore, the rotationally resolved electronic Stark spectrum of anisole in the molecular beam is presented. Finally, the Cartesian coordinates of the CC2/cc-pVTZ optimized structures of anisole are given in bohr units. For details about the evaluation of the dipole moments from the given data, see the connected research article: Lindic et al. (2018) [1].
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spelling pubmed-61975732018-10-24 Additional data for evaluation of the excited state dipole moments of anisole Lindic, Mirko Matthias Zajonz, Matthias Hebestreit, Marie-Luise Schneider, Michael Meerts, W. Leo Schmitt, Michael Data Brief Chemistry We present the temperature dependent density, fluorescence emission and absorption spectroscopic data, that are needed for an evaluation of the excited state dipole moment of anisole in ethyl acetate via the methods of thermochromic shifts. Furthermore, the rotationally resolved electronic Stark spectrum of anisole in the molecular beam is presented. Finally, the Cartesian coordinates of the CC2/cc-pVTZ optimized structures of anisole are given in bohr units. For details about the evaluation of the dipole moments from the given data, see the connected research article: Lindic et al. (2018) [1]. Elsevier 2018-10-03 /pmc/articles/PMC6197573/ /pubmed/30364665 http://dx.doi.org/10.1016/j.dib.2018.09.110 Text en © 2018 The Authors http://creativecommons.org/licenses/by/4.0/ This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Chemistry
Lindic, Mirko Matthias
Zajonz, Matthias
Hebestreit, Marie-Luise
Schneider, Michael
Meerts, W. Leo
Schmitt, Michael
Additional data for evaluation of the excited state dipole moments of anisole
title Additional data for evaluation of the excited state dipole moments of anisole
title_full Additional data for evaluation of the excited state dipole moments of anisole
title_fullStr Additional data for evaluation of the excited state dipole moments of anisole
title_full_unstemmed Additional data for evaluation of the excited state dipole moments of anisole
title_short Additional data for evaluation of the excited state dipole moments of anisole
title_sort additional data for evaluation of the excited state dipole moments of anisole
topic Chemistry
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6197573/
https://www.ncbi.nlm.nih.gov/pubmed/30364665
http://dx.doi.org/10.1016/j.dib.2018.09.110
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