Abstract
Molecular structure, ground state and triplet–triplet electronic absorption spectra were predicted for the title compound using the time-dependent density functional theory calculations. These predictions reproduce well the experimental results, making allowance for the contribution of the solvent interactions, disregarded in the present calculations. Spectral and photophysical properties were compared to those of other alloxazine derivatives, and rationalized based on the proximity effect theory. Triplet quenching rate by oxygen was determined, along with the resulting singlet oxygen yields.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
