• Login
    View Item 
    •   etd@IISc
    • Division of Chemical Sciences
    • Inorganic and Physical Chemistry (IPC)
    • View Item
    •   etd@IISc
    • Division of Chemical Sciences
    • Inorganic and Physical Chemistry (IPC)
    • View Item
    JavaScript is disabled for your browser. Some features of this site may not work without it.

    Theoretical Studies on Excited-State Photodynamics: N-H Dissociation in Aniline and Intermolecular H atom Transfer in the 2-Amino Pyridine Dimer

    View/Open
    Thesis full text (15.94Mb)
    Author
    Ray, Jyotirmoy
    Metadata
    Show full item record
    Abstract
    DNA is composed of light-absorbing molecular units like adenine, guanine, thymine, cytosine, etc. It is well-known that DNA as a whole is photostable upon exposure to sunlight. The photostability of biomolecules suggests that the relaxation process from the electronically excited state to the ground state (GS) is very efficient, and the excited state lifetime is very short. Several experimental and theoretical studies in the past couple of decades have investigated such excited state dynamics. Early studies by Domcke, Sobolewski and coworkers explored excited-state processes in prototypical molecules like phenol, pyrrole and indole and have proposed that one of the dominant processes on the excited state is the 1πσ∗ state mediated N-H/O-H dissociation via 1ππ∗/1πσ∗ and 1πσ∗/GS conical intersections (CIs) 1. They also carried out computational calculations to understand the underlying reason for the photostability of biomolecules 2. It is now understood that they can undergo a charge transfer (CT) state-mediated intermolecular proton transfer on the excited state and relax to the ground electronic state through CT/GS CI very efficiently on an ultrafast timescale. The study of excited-state dynamics of prototypical molecules to the biomolecules is essential to understand photodamage and photostability of complex biomolecules. The present thesis explores these aspects in aniline and the 2-amino pyridine dimer, respectively
    URI
    https://etd.iisc.ac.in/handle/2005/5618
    Collections
    • Inorganic and Physical Chemistry (IPC) [303]

    etd@IISc is a joint service of SERC & J R D Tata Memorial (JRDTML) Library || Powered by DSpace software || DuraSpace
    Contact Us | Send Feedback | Thesis Templates
    Theme by 
    Atmire NV
     

     

    Browse

    All of etd@IIScCommunities & CollectionsTitlesAuthorsAdvisorsSubjectsBy Thesis Submission DateThis CollectionTitlesAuthorsAdvisorsSubjectsBy Thesis Submission Date

    My Account

    LoginRegister

    etd@IISc is a joint service of SERC & J R D Tata Memorial (JRDTML) Library || Powered by DSpace software || DuraSpace
    Contact Us | Send Feedback | Thesis Templates
    Theme by 
    Atmire NV