Non-covalent interactions in molecular systems: thermodynamic evaluation of the hydrogen bond strength in aminoalcohols

In molecules with two functional groups that form hydrogen bonds, the structure-property relationship can depend significantly on the strength of intra-molecular hydrogen bonding. This bonding can cause a substantial conformational change that is accompanied by a frequency shift in the infrared spec...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2021-11, Vol.23 (44), p.25226-25238
Hauptverfasser:	Siewert, Riko, Ludwig, Ralf, Verevkin, Sergey P
Format:	Artikel
Sprache:	eng
Schlagworte:	Alcohols Bonding strength Charge transfer Chemical bonds Enthalpy Fourier transforms Frequency shift Functional groups Hydrogen bonding Hydrogen bonds Infrared analysis Quantum chemistry Systems analysis Vaporization
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