title: Solvent effect on the absorption and fluorescence of ergone: determination of ground and excited state dipole moments.
abstract: The effect of solvents on the absorption and emission spectra of ergone has been studied in various solvents at 298 K. The bathochromic shift was observed in absorption and fluorescence spectra with the increase of solvents polarity, which implied that transition involved was π→π*. And the normalized transition energy value E(T)(N) showed some scattering when plotted versus Δν. The ground state and excited state dipole moments were calculated by quantum-mechanical second-order perturbation method as a function of the dielectric constant (ε) and refractive index (n). The result was found to be 1.435 D and 2.520 D in ground state and excited state respectively. And also, the density functional calculations were used to obtain the ground state and excited state dipole moments for it has proven to be suitable for calculating electronic excitation energy. And the result is consistent with the experimental.
authors: School of Chemical Engineering, Northwest University, No. 229 Taibai North Road, Xi'an, Shaanxi 710069, China.
authors: Lusha
authors: L
authors: Liu
authors: Yang
authors: Y
authors: Sun
authors: Song
authors: S
authors: Wei
authors: Xiaoyun
authors: X
authors: Hu
authors: Yingyong
authors: Y
authors: Zhao
authors: Jun
authors: J
authors: Fan
mesh_terms: D000042:Absorption; D002783:Cholestenones; D004560:Electricity; D004875:Ergosterol / Q000031:analogs & derivatives* / Q000737:chemistry; D008968:Molecular Conformation; D012997:Solvents / Q000737:chemistry*; D013050:Spectrometry, Fluorescence
chemical_list: D002783:Cholestenones; D012997:Solvents; C015860:ergosta-4,6,8(14),22-tetraen-3-one; D004875:Ergosterol