Abstract
To explore the mechanism of intermolecular hydrogen bond relating to PRODAN derivative 2b in methanol solvent on photoexcitation process, spectral behavior calculations of PRODAN-2b and its hydrogen bonding complex were studied by using density functional theory (DFT) and time-dependent density functional theory (TDDFT). After photo excitation, the hydrogen bond between PRODAN-2b and methanol become stronger. It was found that with the increase in the number of methanol molecules, the more hydrogen bonds between PRODAN-2b and methanol were formed and the hydrogen bondings were also enhanced. Further evidence for enhanced hydrogen bond due to intramolecular charge transfer excitation character of PRODAN-2b is presented. This effect leads to the red shift of absorption and fluorescence spectra of PRODAN-2b molecules in methanol solvent with increasing methanol concentration.
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.
