Work

Exploration of minimum energy conical intersection structures of small polycyclic aromatic hydrocarbons: toward an understanding of the size dependence of fluorescence quantum yields

Year: 2015

Type: article

Abstract: Minimum energy conical intersection (MECI) geometries were searched for polycyclic aromatic hydrocarbons (PAHs) consisting of up to 26 atoms. The energy barriers to the obtained MECIs showed a correlation with their fluorescence quantum yields. This provides a theoretical rationale for the size dependence of the fluorescence quantum yields seen in these PAHs.

Source: Physical Chemistry Chemical Physics

DOI: 10.1039/c5cp02103k

Authors: Yu Harabuchi, Tetsuya Taketsugu, Satoshi Maeda

Institutions: Hokkaido University, Japan Science and Technology Agency

Language: English

Topic: Photochemistry and Electron Transfer Studies

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: hybrid

Funders: Hokkaido University, Japan Society for the Promotion of Science, Japan Science and Technology Agency, Core Research for Evolutional Science and Technology

Awards: G2521286739, Theoretical study on excited-state dynamics with plural factors