Photo-physical properties of vinigrol revealed by two-photon absorption, electronic circular dichroism, Raman spectroscopy and Raman optical activity

Abstract

Vinigrol is important in biological applications, two compounds in the synthesis process are analyzed which both contain oxygen bridge structure and have different groups. One-photon absorption (OPA), Two-photon absorption (TPA), electronic circular dichroism (ECD) spectroscopy and Raman optical activity (ROA) characterization methods are used to explore the physical mechanism of molecules under light excitation, and the two dimensional and three dimensional visualization methods make the electron transfer process more intuitive. The physical mechanism of two-step transition in TPA process is investigated by multiple visualization method. The interaction mechanism between light and matter of ECD and ROA is revealed by the transition dipole moment, transition magnetic dipole moment, transition quadrupole moment and their tensor product. The analysis by combining ROA and vibration mode can more directly reflect the sensitivity of each part of the molecule to light excitation in different states. We obtained the research results that the presence of oxygen atoms plays an important role in the above optical processes through a series of theoretical calculations.