Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 122, Issue 23, Pages 12215-12221Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.8b04395
Keywords
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Funding
- ministry of science and technology, Taiwan [MOST 106-2628-M-002-003]
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The photophysical properties of the phenothiazine-triphenyltriazine derivative, PTZ-TRZ, are reinvestigated. The results, in combination with the computational approaches, lead us to draw the conclusion that the complicated excitation behavior in toluene (ref 18), in part, is due to the UV absorption cutoff region for toluene where the <315 nm excitation is greatly distorted by solvent absorption, i.e., the inner filter effect, in a regular sample cuvette (1.0 cm path length). Switching the solvent to cyclohexane with the UV cutoff wavelength at 235 nm simplifies the results. In cyclohexane, two isomers exist for PTZ-TRZ in the ground state and quasi-axial and quasi-equatorial-conformers. Upon electronic excitation, both quasi-axial and quasi-equatorial conformers undergo structural relaxation to an energy minimum state where the phenothiazine is in a planar configuration.
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