Comparison of Proton Acceptor and Proton Donor Properties of H<sub>2</sub>O and H<sub>2</sub>O<sub>2</sub> in Organic Crystals of Drug-like Compounds: Peroxosolvates vs. Crystallohydrates

Comparison of Proton Acceptor and Proton Donor Properties of H<sub>2</sub>O and H<sub>2</sub>O<sub>2</sub> in Organic Crystals of Drug-like Compounds: Peroxosolvates vs. Crystallohydrates

Two new peroxosolvates of drug-like compounds were synthesized and studied by a combination of X-ray crystallographic, Raman spectroscopic methods, and periodic DFT computations. The enthalpies of H-bonds formed by hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) as a donor and...

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Bibliographic Details
Main Authors: Mikhail V. Vener, Andrei V. Churakov, Alexander P. Voronin, Olga D. Parashchuk, Sergei V. Artobolevskii, Oleg A. Alatortsev, Denis E. Makhrov, Alexander G. Medvedev, Aleksander Filarowski
Format: Article
Language:English
Published: MDPI AG 2022-01-01
Series:Molecules
Subjects:
crystal packing
periodic DFT computations
bifurcate hydrogen bonds
low-frequency Raman spectroscopy
hydrogen bond enthalpy
Online Access:https://www.mdpi.com/1420-3049/27/3/717

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https://www.mdpi.com/1420-3049/27/3/717

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