Siewert, Riko published the artcileNon-covalent interactions in molecular systems: thermodynamic evaluation of the hydrogen bond strength in aminoalcohols, HPLC of Formula: 584-02-1, the main research area is aminoalc hydrogen bond stabilization energy formation enthalpy.
In mols. with two functional groups that form hydrogen bonds, the structure-property relationship can depend significantly on the strength of intra-mol. hydrogen bonding. This bonding can cause a substantial conformational change that is accompanied by a frequency shift in the IR spectrum, which provides the basis for exptl. studies. Despite its great importance in biol. systems, the available literature data for the strength of this bonding are scarce and not in agreement. In this work, we present the results of four thermodn. methods for the determination of the strength of intramol. hydrogen bonds. Comprehensive thermochem. anal. of 1-amino-2-alcs. and 2-amino-1-alcs. was performed with Fourier-transform IR spectroscopy, high-level G4 quantum-chem. calculations, the homomorph scheme with enthalpies of vaporization and a group contribution method. With the combination of these four thermodn. methods, the strength of intramol. hydrogen bonding in 1,2-aminoalcs. and 2,1-aminoalcs. was evaluated quant. The results were correlated with NBO parameters to find an explanation for the different strengths of intramol. hydrogen bonds in total charge transfer and second order stabilization energies.
Physical Chemistry Chemical Physics published new progress about Conformers. 584-02-1 belongs to class alcohols-buliding-blocks, name is 3-Pentanol, and the molecular formula is C5H12O, HPLC of Formula: 584-02-1.
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts