Liquid-solid phase regulating excited-state intramolecular proton transfer process of HBT-d-NO: A QM/MM study.

The excited-state intramolecular proton transfer process of 2-(1,3-benzothiazol-2-yl)-4-[2-(4-nitrophenyl)ethynyl]phenol (HBT-d-NO) in the different surrounding environment is investigated using density functional theory (DFT) and time-dependent density functional theory (TDDFT). The optimized molecular structure provides convincing evidence that the intramolecular hydrogen bond is strengthened in the first excited (S) state. The frontier molecular orbitals observed the HBT-d-NO exists obvious intramolecular charge translate phenomenon.

Integral absorbance measurement for a non-uniform flow field using wavelength modulation absorption spectroscopy.

Combined with computed tomography (CT), the laser absorption spectroscopy technique is used to measure the two-dimensional distribution information of the flow field. The CT method needs an "integral parameter" as a known quantity. The integrated absorbance satisfies the criterion in the laser absorption spectral measurement.