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

ABSTRACT: 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].

SUBMITTER: Lindic MM

PROVIDER: S-EPMC6197573 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature

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

Lindic Mirko Matthias MM Zajonz Matthias M Hebestreit Marie-Luise ML Schneider Michael M Meerts W Leo WL Schmitt Michael M

Data in brief 20181003

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 ...[more]

PMID: 30364665

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