Tensor Components in Three Pulse Vibrational Echoes of a Rigid Dipeptide

Bulletin of the Korean chemical society

Shaul Mukamel¹  Jens Dreyer¹  Andrew M. Moran¹ 

关键词: Vibrational echo;    Dipeptide;   

DOI  :  

学科分类：化学（综合）

来源: Korean Chemical Society

【 摘 要 】

The effects of different polarization conditions on vibrational echo signals are systematically explored for the rigid cyclic dipeptide 2,5-diazabicyclo[2,2,2]octane-3,6-dione. An anharmonic vibrational Hamiltonian is constructed by computing energy derivatives to fourth order using density functional theory. Molecular frame transition dipole orientations are then used to calculate polarization dependent orientational factors corresponding to various Liouville space pathways. Enhancement and elimination of specific peaks in twodimensional correlation plots is accomplished by identifying appropriate pulse configurations.

【 授权许可】

Unknown