An experimental and theoretical study of solvent hydrogen-bond-donating capacity effects on ultrafast intramolecular charge transfer of LD 490

作者：Li, Hui; Yin, Hang; Liu, Xiaochun; Shi, Ying^*; Jin, Mingxing; Ding, Dajun

来源：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy , 2017, 184: 270-276.

DOI：10.1016/j.saa.2017.05.027

• Intramolecular charge transfer
• Intermolecular hydrogen bonding
• Femtosecond transient absorption spectra
• TDDFT

The excited-state intramolecular charge transfer (ICT) of LD 490 were investigated in different hydrogen-bond donating solvents (a scale) on the basis of the Kamlet-Taft solvatochromic parameters (pi*, alpha, beta). The femtosecond transient absorption spectra and the kinetics decay rate reveal that with an increase of solvent's et capacity, the long-lived picosecond process, which is attributed to the ICT, becomes much faster, Combining with time-dependent density functional theory (TDDFT) calculations, we demonstrate that the enhancement of alpha acidity substantially increases the electronegativity of the carbonyl oxygen in 1.0 490, which strengthen excited-state intermolecular hydrogen bonding interactions and consequently facilitate the ICI' process.

• 出版日期2017-9-5
• 单位吉林大学