Abstract
Methods of quantum chemistry (including the method of intermediate neglect of differential overlap (INDO)) are used to calculate and to interpret the absorption and fluorescence spectra of the 9-11-dehydroderivative 2,3-dimethoxy-8-aza-D-homogon-1,3,5(10),13-tetraene-12,17a-dion (DA-1) molecule in aproton and proton-donor solvents. The electronic structure and spectra of electronically excited states of the isolated molecule and its complexes with water and proton solvates are calculated. It is demonstrated that bands in the absorption spectra are complex; they are formed by two or more electron transitions. It is established that only the charged DA-1 + H 5 O 2 + and DA-1 + 2H 3 O + complexes can fluoresce.
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.
