Systematic Hydrogen‐Bond Manipulations To Establish Polysaccharide Structure–Property Correlations
Angewandte Chemie, 2019 A dense hydrogen‐bond network is responsible for the mechanical and structural properties of polysaccharides. Random derivatization alters the properties of the bulk material by disrupting the hydrogen bonds, but obstructs detailed structure–function ...
Yang Yu +9 more
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Hydrogen-bonding study of photoexcited 4-nitro-1,8-naphthalimide in hydrogen-donating solvents
Open Physics, 2016 The solute–solvent interactions of 4-nitro-1,8-naphthalimide (4NNI) as a hydrogen bond acceptor in hydrogen donating methanol (MeOH) solvent in electronic excited states were investigated by means of the time-dependent density functional theory(TDDFT ...
Cao Jianfang +5 more
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2-Hydroxybenzyl alcohol–phenanthroline (1/1)
Acta Crystallographica Section E, 2009 Crystals of the title compound, C12H8N2·C7H8O2, were obtained during cocrystallization experiments of a compound with two hydrogen-bond donors (2-hydroxybenzyl alcohol) with another compound containing two hydrogen-bond acceptors (phenanthroline)
Cuong Quoc Ton, Michael Bolte
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N-(3-Methylphenyl)-N′-(4-nitrobenzoyl)thiourea
Acta Crystallographica Section E, 2008 Two molecules of the title compound, C15H13N3O3S, are linked by an intermolecular N—H...S hydrogen bond. There is also an intramolecular N—H...O hydrogen bond, forming a six-membered ring.
Liang Xian
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Intramolecular Hydrogen Bond Energy and Its Decomposition—O–H∙∙∙O Interactions
Crystals, 2020 The method to calculate the energy of intramolecular hydrogen bond is proposed and tested for a sample of malonaldehyde and its fluorine derivatives; the corresponding calculations were performed at the ωB97XD/aug-cc-pVTZ level.
Sławomir J. Grabowski
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Theoretical Study of Heteroatom Resonance-Assisted Hydrogen Bond: Effect of Substituent on π-delocalization [PDF]
Iranian Journal of Chemistry & Chemical Engineering, 2010 The concept of Resonance Assisted Hydrogen Bond (RAHB), which usually occurs in b diketons, has a remarkable role in chemistry. These molecules, which contain heteroatom particularly O and N, are species with biological interest in protein folding and ...
Ali Heydar Pakiari, Maryam Farrokhnia
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Bis(dimethylammonium) 2,5-dihydroxybenzene-1,4-disulfonate
Acta Crystallographica Section E, 2012 In the crystal of the title salt, 2C2H8N+·C6H4O8S22−, the anion lies on a center of inversion. The dimethylammonium cation forms one N—H...O hydrogen bond and another bifurcated N—H...O hydrogen bond.
Shan Gao, Seik Weng Ng
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Direct observation of single-molecule hydrogen-bond dynamics with single-bond resolution
Nature Communications, 2018 The hydrogen bond represents a fundamental interaction widely existing in nature, which plays a key role in chemical, physical and biochemical processes.
Ce Zhou +9 more
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Quantum hydrogen-bond symmetrization in the superconducting hydrogen sulfide system [PDF]
Nature, 2015 The quantum nature of the proton can crucially affect the structural and physical properties of hydrogen compounds. For example, in the high-pressure phases of H2O, quantum proton fluctuations lead to symmetrization of the hydrogen bond and reduce the ...
I. Errea +9 more
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(E)-4-Hydroxy-N′-(2-hydroxy-4-methoxybenzylidene)benzohydrazide monohydrate
Acta Crystallographica Section E, 2009 The Schiff base molecule of the title compound, C15H14N2O4·H2O, adopts a trans configuration with respect to the C=N double bond; the Schiff base itself is almost planar (r.m.s. deviation for all non-H atoms = 0.040 Å).
Nooraziah Mohd Lair +2 more
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