Analysis on high-resolution spectrum of the S1-S0 transition of free-base phthalocyanine

Yuki Miyamoto*, Ayami Hiramoto, Kana Iwakuni, Susumu Kuma, Katsunari Enomoto, Naofumi Nakayama, Masaaki Baba

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

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 S 1 ← S 0 0 0 0 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.

Original languageEnglish
Article number144304
JournalJournal of Chemical Physics
Volume160
Issue number14
DOIs
StatePublished - 2024/04/14

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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