Optical properties of kalihinol derivatives in TPA, ECD and ROA

Abstract

The kalihinols possess the highest skeletal and functional group complexity of the biologically enigmatic isocyanoterpene (ICT) class. In this paper, one-photon absorption (OPA), two-photon absorption (TPA), electron circular dichroism (ECD) spectroscopy, resonance Raman spectroscopy and Raman optical activity spectroscopy (ROA) are used to explore the optical properties and electronic excitation characteristic of kalihinol D, kalihinol A and kalihinene Y. By using the transition density matrix (TDM) and the charge difference density (CDD) maps, the situation of electron-hole interaction is analyzed. During the analysis of ECD spectra, the strong coupling between the transition electric dipole moment with the transition magnetic dipole moment and the transition electric quadrupole moment with the transition electric dipole moment can be showed obviously because of the visualization method. The molecular characteristics reflect different wavelength response and different polarized light absorption. It also corresponds to different modes of Raman vibration.