Universität zu Köln

Reiffers, Anna, Ziegenbein, Christian Torres, Schubert, Luiz, Diekmann, Janina ORCID: 0000-0003-3481-358X, Thom, Kristoffer A., Kuehnemuth, Ralf, Griesbeck, Axel ORCID: 0000-0002-6546-3482, Weingart, Oliver ORCID: 0000-0001-6033-3702 and Gilch, Peter (2019). On the large apparent Stokes shift of phthalimides. Phys. Chem. Chem. Phys., 21 (9). S. 4839 - 4854. CAMBRIDGE: ROYAL SOC CHEMISTRY. ISSN 1463-9084

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Abstract

The photophysics of N-methylphthalimide (MP) in solution (cyclohexane, ethanol, acetonitrile, and water) was characterized by steady state as well as time resolved fluorescence and absorption spectroscopy. In all solvents the compound exhibits an unusually large Stokes shift of approximate to 10000 cm(-1). It is attributed to an ultrafast (<100 fs) depletion of the initially excited state, which results in the population of a weakly emitting state. Quantum chemical computations (DFT-MRCI) support this. They identify two energetically low-lying singlet * excitations of different oscillator strength. Whereas the Stokes shift and thereby the ultrafast depletion of the initial excitation are hardly affected by the solvent later processes respond strongly. The fluorescence lifetime varies from approximate to 10 ps (cyclohexane) to approximate to 3 ns (water). This is attributed to a varying energetic accessibility of n* excitations.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Reiffers, Anna UNSPECIFIED UNSPECIFIED UNSPECIFIED Ziegenbein, Christian Torres UNSPECIFIED UNSPECIFIED UNSPECIFIED Schubert, Luiz UNSPECIFIED UNSPECIFIED UNSPECIFIED Diekmann, Janina UNSPECIFIED orcid.org/0000-0003-3481-358X UNSPECIFIED Thom, Kristoffer A. UNSPECIFIED UNSPECIFIED UNSPECIFIED Kuehnemuth, Ralf UNSPECIFIED UNSPECIFIED UNSPECIFIED Griesbeck, Axel UNSPECIFIED orcid.org/0000-0002-6546-3482 UNSPECIFIED Weingart, Oliver UNSPECIFIED orcid.org/0000-0001-6033-3702 UNSPECIFIED Gilch, Peter UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-154094
DOI:	10.1039/c8cp07795a
Journal or Publication Title:	Phys. Chem. Chem. Phys.
Volume:	21
Number:	9
Page Range:	S. 4839 - 4854
Date:	2019
Publisher:	ROYAL SOC CHEMISTRY
Place of Publication:	CAMBRIDGE
ISSN:	1463-9084
Language:	English
Faculty:	Faculty of Mathematics and Natural Sciences
Divisions:	Faculty of Mathematics and Natural Sciences > Department of Chemistry > Institute of Organic Chemistry
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language PHOTOCHEMICAL-SYNTHESIS; FLUORESCENCE LIFETIME; KETENE INTERMEDIATE; ABSORPTION; DYNAMICS; STATE; TIME; NUCLEOTIDES; NUCLEOSIDES; CONVERSION Multiple languages Chemistry, Physical; Physics, Atomic, Molecular & Chemical Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/15409