Article ; Online: Analysis on high-resolution spectrum of the S1-S0 transition of free-base phthalocyanine.
The Journal of chemical physics
2024 Volume 160, Issue 14
Abstract: A high-resolution absorption spectrum of the S1-S0 transition of free-base phthalocyanine was observed and analyzed with improved reliability. The spectrum, with a partially resolved rotational structure, was obtained by using the buffer-gas cooling ... ...
Abstract | A high-resolution absorption spectrum of the S1-S0 transition of free-base phthalocyanine was observed and analyzed with improved reliability. The spectrum, with a partially resolved rotational structure, was obtained by using the buffer-gas cooling technique and a single-mode tunable laser. Our new analysis reveals that the S1←S0000 band belongs to the a-type transition, where the electronic transition moment aligns parallel to the NH-HN direction, allowing the assignment of the S1 state to 1B3u. These results agree with a prior study using supersonic expansion and are well supported by theoretical calculations. Interestingly, the rotational constant B in the S1 state, which is often smaller than that in the ground state for typical molecules, was found to be slightly larger than that in the S01Ag state. This suggests a change in the character of π bonds with the electronic excitation. |
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Language | English |
Publishing date | 2024-04-09 |
Publishing country | United States |
Document type | Journal Article |
ZDB-ID | 3113-6 |
ISSN | 1089-7690 ; 0021-9606 |
ISSN (online) | 1089-7690 |
ISSN | 0021-9606 |
DOI | 10.1063/5.0191810 |
Database | MEDical Literature Analysis and Retrieval System OnLINE |
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