On May 31, 2018, Ogruc Ildiz, G.; Konarska, J.; Fausto, R. published an article.SDS of cas: 321-28-8 The title of the article was Structural transformations of 3-fluoro and 3-fluoro-4-methoxy benzaldehydes under cryogenic conditions: A computational and low temperature infrared spectroscopy investigation. And the article contained the following:
Structural transformations of 3-fluorobenzaldehyde (C7H5FO; 3FBA) and 3-fluoro-4-methoxybenzaldehyde (C8H7FO2; 3F4MBA), taking place in different solid phase environments and at low temperature, were investigated by IR spectroscopy, complemented by quantum chem. calculations undertaken at the DFT(B3LYP)/6-311++G(d,p) level of approximation The studied compounds were isolated from gas phase into cryogenic inert matrixes (Ar, Xe), allowing to characterize their equilibrium conformational composition in gas-phase at room temperature In both cases, two conformers differing by the orientation of the aldehyde moiety (with the carbonyl aldehyde bond cis or trans in relation to the aromatic ring fluorine substituent) were found to coexist, with the cis conformer being slightly more populated than the trans form. In situ narrowband UV irradiation of the as-deposited matrixes led either to preferential isomerization of the cis conformer into the trans form or decarbonylation of both conformers, depending on the used excitation wavelength. Deposition of the vapors of 3F4MBA only, onto the cold (15 K) substrate, produced an amorphous solid containing also both the cis and trans conformers of the compound Subsequent heating of the amorphous phase up to 268 K led to crystallization of the compound, which is accompanied by conformational selection, the cis form being the single species present in the crystal. The exptl. observed transformations of the studied compounds, together with the structural and vibrational results obtained from the performed quantum chem. calculations, allowed a detailed structural and vibrational characterization of the individual conformers. The experimental process involved the reaction of 1-Fluoro-2-methoxybenzene(cas: 321-28-8).SDS of cas: 321-28-8
The Article related to fluorobenzaldehyde photodecarbonylation conformational isomerization ir spectra, Physical Organic Chemistry: Rearrangements, Including Isomerization and Tautomerization and other aspects.SDS of cas: 321-28-8
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