Studies of Spin Orbit Coupling Effect on Metal Porphyrins and Excitation Energy Transfer in Porphyrin-Based Donor-Bridge-Acceptor Systems

• Main Authors: Lun Hsieh, 謝綸
• Other Authors: Chung-Chih Wu
• Format: Others
• Language: en_US
• Published: 2010
• Online Access: http://ndltd.ncl.edu.tw/handle/68376819605728671676

碩士 === 臺灣大學 === 光電工程學研究所 === 98 === Spin orbit coupling (SOC), or spin orbit interaction, is the interaction between a particle’s spin and its motion. SOC may cause minor shift in state energies, both ground states and excited state, as well as coupling between different states which will cause the destruction of pure spin states. Also It has long been known that for triplet excitation energy transfer (TEET), the rate constant will decay exponentially with distance; while for singlet excitation energy transfer (SEET), the rate constant will decay polynomially with distance. In this thesis we implement the one-electron SOC Hamiltonian into to the developmental version of Q-Chem quantum chemistry package. We than calculate the triplet excitation energy transfer as well as singlet excitation energy transfer contribution through spin orbit coupling of a Porphyrin-Based Donor-Bridge-Acceptor Systems to see how will spin orbit coupling affect overall excitation energy transfer rate.