Raman study of intramolecular frequency noncoincidence effect in dialkyl benzenedicarboxylates was written by Kim, Yoo Joong;Chang, Hai-Chou;Sullivan, Vivian S.;Jonas, Jiri. And the article was included in Journal of Chemical Physics in 1999.SDS of cas: 5444-75-7 The following contents are mentioned in the article:
Raman noncoincidence effects (NCE) of the C:O stretching band of dialkyl esters of phthalic, isophthalic, and terephthalic acids were measured as a function of concentration in MeCN and dioxane solutions By quenching the intermol. vibrational interactions between the C:O groups of neighboring mols. by dilution, the NCE arising from the coupling between 2 C:O stretching vibrations in a single diester mol. was observed for the 1st time. The intramol. NCE values for these mols. were neg. and dependent on the relative orientation and distance between the 2 C:O groups in the mol. Similarly as for most intermol. NCE, the intramol. NCE is explained by the transition-dipole coupling mechanism. The presence of a single dipolar coupling pair allows one to express the intramol. NCE values by a simple anal. equation with a few mol. parameters including those for the arrangement of the 2 C:O groups. The observed intramol. NCE values are well predicted, with a limitation of large dipolar distance, by the equation with the geometric parameters obtained from the ab initio optimized structures. In fact, the NCEs provided information about detailed conformational structure of the benzenedicarboxylates in dilute solutions Since the intramol. NCE value indeed corresponds to a frequency difference between the in-phase and out-of-phase C:O stretching normal modes of a mol., suggesting that the vibrational coupling between the 2 C:O internal coordinates in these mols. is mainly due to the transition dipolar interaction. This study involved multiple reactions and reactants, such as 2-Ethylhexyl benzoate (cas: 5444-75-7SDS of cas: 5444-75-7).
2-Ethylhexyl benzoate (cas: 5444-75-7) belongs to esters. Esters perform as high-grade solvents for a broad array of plastics, plasticizers, resins, and lacquers, and are one of the largest classes of synthetic lubricants on the commercial market. Cyclic esters are called lactones, regardless of whether they are derived from an organic or inorganic acid. One example of an organic lactone is γ-valerolactone.SDS of cas: 5444-75-7
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics