Details
| Original language | English |
|---|---|
| Pages (from-to) | 381-388 |
| Number of pages | 8 |
| Journal | Chemical Physics |
| Volume | 289 |
| Issue number | 2-3 |
| Early online date | 19 Mar 2003 |
| Publication status | Published - 15 Apr 2003 |
| Externally published | Yes |
Abstract
The effect of tensile stress upon the optical properties of organic dye molecules has been investigated using semi-empirical methods (AM1, INDO/S). It is found that some of the dyes exhibit significant changes of absorption wavelengths and/or oscillator strengths, which renders them suitable for mechanochromic single molecule experiments. The changes can be explained on the basis of the relevant frontier orbitals and the structural changes of the dyes upon exertion of tensile stress.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- General Physics and Astronomy
- Chemistry(all)
- Physical and Theoretical Chemistry
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In: Chemical Physics, Vol. 289, No. 2-3, 15.04.2003, p. 381-388.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Organic chromophores under tensile stress
AU - Röhrig, Ute F.
AU - Troppmann, Ulrike
AU - Frank, Irmgard
N1 - Funding Information: We thank Markus Seitz and Andreas Zumbusch for bringing the topic to our attention and for intensive discussions. We are grateful to the Volkswagen-Stiftung and the Bayerische Forschungsstiftung (FORMAT-Programm) for financial support. Computational resources provided by the Leibniz-Rechenzentrum are gratefully acknowledged.
PY - 2003/4/15
Y1 - 2003/4/15
N2 - The effect of tensile stress upon the optical properties of organic dye molecules has been investigated using semi-empirical methods (AM1, INDO/S). It is found that some of the dyes exhibit significant changes of absorption wavelengths and/or oscillator strengths, which renders them suitable for mechanochromic single molecule experiments. The changes can be explained on the basis of the relevant frontier orbitals and the structural changes of the dyes upon exertion of tensile stress.
AB - The effect of tensile stress upon the optical properties of organic dye molecules has been investigated using semi-empirical methods (AM1, INDO/S). It is found that some of the dyes exhibit significant changes of absorption wavelengths and/or oscillator strengths, which renders them suitable for mechanochromic single molecule experiments. The changes can be explained on the basis of the relevant frontier orbitals and the structural changes of the dyes upon exertion of tensile stress.
UR - http://www.scopus.com/inward/record.url?scp=0037446005&partnerID=8YFLogxK
U2 - 10.1016/S0301-0104(03)00085-5
DO - 10.1016/S0301-0104(03)00085-5
M3 - Article
AN - SCOPUS:0037446005
VL - 289
SP - 381
EP - 388
JO - Chemical Physics
JF - Chemical Physics
SN - 0301-0104
IS - 2-3
ER -