Product Details of 87-41-2. Tseplin, EE; Tseplina, SN in [Tseplin, Evgeniy E.; Tseplina, Svetlana N.] Russian Acad Sci, Ufa Fed Res Ctr, Inst Mol & Crystal Phys, Prospekt Oktyabrya 151, Ufa 450075, Russia published Application of polar solvent effects in absorption spectra for determination of lowest electron-excited states of phthalide in 2019, Cited 37. The Name is Isobenzofuran-1(3H)-one. Through research, I have a further understanding and discovery of 87-41-2.
The optical absorption spectra of phthalide in polar (methanol) and nonpolar (n-hexane) solvents are recorded. The electronic phthalide spectrum was calculated by TDDFT B3LYP/6-311 + G(d, p) using the polarisable continuum model. Based on an analysis of calculation data and the displacement of absorption bands in a polar solvent, it was established that the absorption bands of phthalide at energies of 3.51 and 3.96 eV correspond to singlet-triplet transitions to the T-1 and T-2 states, respectively.
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Reference:
Benzofuran – Wikipedia,
,Benzofuran | C8H6O – PubChem