Quality Control of 1,3-Dimethoxybenzene. Authors Henrichs, C; Hebestreit, ML; Krugler, D; Schmitt, M in ELSEVIER published article about in [Henrichs, Christian; Hebestreit, Marie-Luise; Schmitt, Michael] Heinrich Heine Univ, Inst Phys Chem 1, D-40225 Dusseldorf, Germany; [Krugler, Daniel] Bruker Daltonik GmbH, D-28359 Bremen, Germany in 2021, Cited 42. The Name is 1,3-Dimethoxybenzene. Through research, I have a further understanding and discovery of 151-10-0
The geometry changes of two rotamers of 1,3-dimethoxybenzene were determined from a combined fit of line intensities in fluorescence emission spectra, obtained via pumping different vibronic transition and the changes of rotational constants upon electronic excitation. The so determined changes are compared to the results of ab initio approximate coupled cluster singles and doubles (CC2) calculations. The bond length variations in the aromatic ring follow the calculated electron density differences from the coupled cluster wavefunctions and are in agreement with excitation to an L-1(b)-state for the C-2v symmetric B-conformer. (C) 2021 Elsevier B.V. All rights reserved.
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