Conformation-Dependent Photophysics of Bifunctional Hydrogen Bond Donor/Acceptor Molecules

• Authors: M. Kijak , I. Petkova , M. Toczek , G. Wiosna-Sałyga , A. Zielińska , J. Herbich , R. Thummel , J. Waluk
• Languages of publication: EN

Abstracts

EN

A series of heteroazaaromatic molecules possessing both a hydrogen bond donor and acceptor groups linked by a single bond was studied using electronic absorption and fluorescence techniques, combined with quantum-chemical calculations. Fluorescence lifetimes and quantum yields strongly depend on the solvent. Double exponential decays are observed in alcohols. This was interpreted in terms of alcohol-induced syn-anti rotamerization in the ground electronic state. The driving force for the conformational change is provided by two factors: (a) solvent polarity increase; (b) the formation of two separate hydrogen bonds in the anti species. In the syn structure, formation of cyclic hydrogen bonds leads to rapid depopulation of the lowest excited singlet state via two competing mechanisms: proton transfer and enhanced internal conversion. The experimental results are rationalized by calculations which include specific and nonspecific solvent effects.

Keywords

EN

33.15.-e; 02.70.-c

Discipline

• 02.70.-c: Computational techniques; simulations(for quantum computation, see 03.67.Lx; for computational techniques extensively used in subdivisions of physics, see the appropriate section; for example, see 47.11.-j Computational methods in fluid dynamics)
• 33.15.-e: Properties of molecules(see also section 31, Electronic structure of atoms and molecules: theory; for molecules of interest in astrophysics, see 95.30.Ky; for structure and properties of biomolecules, see 87.15.-v)

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2007
• Volume: 112
• Issue: S
• Pages: S-105-S-120

Dates

published

2007-12

received

2007-10-26

Contributors

author

M. Kijak

• Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44, 01-224 Warsaw, Poland
• Faculty of Mathematics and Natural Sciences, College of Science, Cardinal Stefan Wyszyński University, Dewajtis 5, 01-815 Warsaw, Poland

author

I. Petkova

• Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44, 01-224 Warsaw, Poland
• Institute of Organic Chemistry, Bulgarian Academy of Sciences, Akad. G. Bontchev bl. IX, Sofia 1113, Bulgaria

author

M. Toczek

• Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44, 01-224 Warsaw, Poland

author

G. Wiosna-Sałyga

• Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44, 01-224 Warsaw, Poland

author

A. Zielińska

• Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44, 01-224 Warsaw, Poland

author

J. Herbich

• Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44, 01-224 Warsaw, Poland
• Faculty of Mathematics and Natural Sciences, College of Science, Cardinal Stefan Wyszyński University, Dewajtis 5, 01-815 Warsaw, Poland

author

R. Thummel

• Department of Chemistry, University of Houston, Houston TX 77204-5003, USA

author

J. Waluk

• Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44, 01-224 Warsaw, Poland
• Faculty of Mathematics and Natural Sciences, College of Science, Cardinal Stefan Wyszyński University, Dewajtis 5, 01-815 Warsaw, Poland

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Identifiers

DOI

10.12693/APhysPolA.112.S-105