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Analysis of proton NMR in hydrogen bonds in terms of lone-pair and bond orbital contributions
(Wiley, 2015-11)
NMR spectroscopic parameters of the proton involved in hydrogen bonding are studied theoretically. The set of molecules includes systems with internal resonance-assisted hydrogen bonds, internal hydrogen bonds but no ...
Structure and weak hydrogen bonds in liquid acetaldehyde
(2004-08-30)
Monte Carlo simulations have been performed to investigate the structure and hydrogen bonds formation in liquid acetaldehyde. An all atom model for the acetaldehyde have been optimized in the present work. Theoretical ...
Quantum confinement in hydrogen bond
(Wiley-Blackwell, 2015-06-15)
In this work, the quantum confinement effect is proposed as the cause of the displacement of the vibrational spectrum of molecular groups that involve hydrogen bonds. In this approach, the hydrogen bond imposes a space ...
On the hydrogen bonding between N-methylformamide and acetone and tetrahydrofuran
(Elsevier B.V., 2014-04-15)
Liquid mixtures of N-methylformamide (NMF)-acetone (ACT) and NMF-tetrahydrofuran (THF) 20 mol% NMF have been investigated using Monte Carlo simulations, aiming to obtain new details on the hydrogen bonding donation of the ...
Hydrogen bonding donation of N-methylformamide with dimethylsulfoxide and water
(2013-04-05)
20% N-methylformamide (NMF) mixtures with water and with dimethylsulfoxide (DMSO) have been studied. A comparison between the hydrogen bonding (H-bond) donation of N-methylformamide with both solvents in the mixtures is ...
Hydrogen bonding donation of N-methylformamide with dimethylsulfoxide and water
(2013-04-05)
20% N-methylformamide (NMF) mixtures with water and with dimethylsulfoxide (DMSO) have been studied. A comparison between the hydrogen bonding (H-bond) donation of N-methylformamide with both solvents in the mixtures is ...
Understanding the role of the hydrogen bond donor of the deep eutectic solvents in the formation of the aqueous biphasic systems
(2020-01-01)
Deep eutectic solvents (DES) have been proposed as phase-forming compounds of aqueous biphasic systems (ABS). However, due to DES nature and the high water content of the ABS, their nature and behavior remains controversial. ...
Strong hydrogen bonds in dicarboxylics acids and aromatics diamines.
(Soc Brasileira QuimicaSao PauloBrasil, 2000)
Hydrogen Bonds: Stickiness of the Hydrogen Bond (Ann. Phys. 9/2018)
(Wiley VCH Verlag, 2018-09)
The dielectric response of bulk water follows laws of continuum electrostatics,a scheme often extrapolated without justification to treat confined interfacialwater, where the Debye polarization ansatz breaks down and ...