The effect of hydrogen bonding on the amide group vibrational spectra has traditionally been rationalized by invoking a resonance model where hydrogen bonding impacts the amide functional group by stabilizing its [(-)O-C=NH (+)] structure over the [O=C-NH] structure. However, Triggs and Valentini's UV-Raman study of solvation and hydrogen bonding effects on epsilon-caprolactum, N, N-dimethylace...

Poly(aryl ether amide) containing o-nitroanilide forms a physical gel in polar aprotic solvents by solvent-induced change of hydrogen bonding modes, in which hydrogen bonding acceptor solvent molecules break intramolecular hydrogen bonding of o-nitroanilide and induce intermolecular hydrogen bonding.

Ligand binding involves breakage of hydrogen bonds with water molecules and formation of new hydrogen bonds between protein and ligand. In this work, the change of hydrogen bonding energy in the binding process, namely hydrogen bonding penalty, is evaluated with a new method. The hydrogen bonding penalty can not only be used to filter unrealistic poses in docking, but also improve the accuracy ...

Crystallographic data analyses indicate that three types of prolinium cations, along with two types of hydrogen bonding, produce and stabilize the helical structure of triprolinium 12-phosphomolybdate. There are similarities between this organic-inorganic compound and peptides/proteins. The stronger “conventional” hydrogen bonds and the less common C-H…O attractions play critical roles in gener...

Crystallographic data analyses indicate that  three types of prolinium cations, along with two types of hydrogen  bonding,  produce and stabilize the helical structure of  triprolinium 12-phosphomolybdate. There are similarities between this organic-inorganic compound and peptides/proteins. The stronger “conventional” hydrogen bonds and the less common C-H…O attractions play critical roles in g...

Although the hydrogen-bonding ability of the α hydrogen atoms on tetraalkylammonium salts is often discussed with respect to phase-transfer catalysts, catalysis that utilizes the hydrogen-bond-donor properties of tetraalkylammonium salts remains unknown. Herein, we demonstrate hydrogen-bonding catalysis with newly designed tetraalkylammonium salt catalysts in Mannich-type reactions. The structu...

molecular structure, isomerism, conformational stability and intramolecular hydrogen bonding (ihb) of cis-enol forms of 1-(n-pyridyl)butane-1,3-diones (npbd) (n = 2, 3, or 4) have been investigated by means of density functional theory (dft) calculations. energy differences for all possible npbd cis-enol forms of isomers with respect to the most stable form of the corresponding isomer have been...

Hydrogen bonding occurs when an atom of hydrogen is attracted by rather strong forces to two atoms instead of only one, so that it may be considered to be acting as a bond between them [99]. Typically hydrogen bonding occurs where the partially positively charged hydrogen atom lies between partially negatively charged oxygen and/or nitrogen atoms, but is also found elsewhere, such as between fl...

Inter- and intra- molecular hydrogen bonding plays important role in determining molecular structure, physical and chemical properties, which may be easily ignored for molecules with a non-typical hydrogen bonding structure. We demonstrated in this paper that the hydrogen bonding is responsible for the different Raman spectra in solid and solution states of p-Nitrothiophenol (PNTP). The consist...