Twisting and bending photo-excited phenylethynylbenzenes – a theoretical analysis
Author:
Affiliation:
1. Interdisciplinary Center for Scientific Computing
2. Heidelberg University
3. Im Neuenheimer Feld 205
4. D-69120 Heidelberg
5. Germany
6. Institute of Organic Chemistry
Abstract
Phenylethynylbenzenes exhibit a rich photochemistry changing dramatically with different ring orientation, as quantum-chemical calculations reveal for 1,4-bis(phenylethynyl)benzene showing different optical properties than its smaller relative tolan.
Funder
Heidelberg Graduate School of Mathematical and Computational Methods for the Sciences, University of Heidelberg
National Science Foundation
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP01662D
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