The hydrogen-bond acceptor ability of divalent sulfur in Y-S-Z systems, Y, Z = C, N, O or S, and the donor ability of thiol S-H have been studied using crystallographic data retrieved from the Cambridge Structural Database. Of 1811 Y-S-Z substructures that co-occur with N-H or O...
The main component of the hydrogen bond is an electrostatic interaction between the dipole of the donor atom with partial negative charge, with the other electronegative atom, the acceptor, bonded to hydrogen atom with partial positive charge. Due to its small size and partial positive charge when...
Hydrogen bond; Molecular recognition; Supramolecular chemistry Abstract Receptor molecules containing four hydrogen-bond acceptor or donor sites based on aminopyridines, aminonaphthyridines and urea subunits have been synthesized and their association has been investigated. DDAA (13a−c) and DADA (...
和电负性极强的原子比如氧、氮、氟相连的氢原子可以作为氢键供体,也就是分子中的N-H和O-H。电负性极强的原子比如氧、氮、氟自己是氢键受体。 氢键供体Hydrogen-bond donors被认为比氢键受体hydrogen-bond acceptors给药物设计者带来更多问题。类药物化合物的大部分极性来自于氢键受体,因为它们的数量通常超过了氢键供体...
by the experimental reaction Gibbs free energy (ΔG) in the case of 1:1 complex formation when all other intermolecular interactions are small. Scales for hydrogen bond acceptor (HBA) and donor (HBD) strengths can be derived by using a common monofunctional reference donor/acceptor molecule. ...
Carbon dioxide capture data for an isolated hydrogen bond donor and hydrogen bond acceptor, as well as natural deep eutectic solvents, were collected. In addition to experimental data, a theoretical study using Density Functional Theory was carried out to analyze the properties of these fluids from...
Intermolecular hydrogen bonding promotes association and thus has a large effect on the physical properties of a substance. For example, lactic acid has two hydrogen bond donor sites (–OH) and three hydrogen bond acceptor sites (–OH, –OH, O). Intermolecular hydrogen bonding of lactic acid ...
Side views of the equilibrium geometries for (MSA)m⋅(H2O)n,(m=1,n=1−5), illustrating bond distances. Full size image The monohydrated MSA (MSA⋅H2O) is H-bonded, where the MSA behaves as an H-bond donor and H2O behaves as H-bond acceptor. The H-bond distance is 1.715 Å...
The binding of donor゛cceptor Stenhouse adducts (DASAs) bearing hydrogen‐bond recognition groups by Hamilton type receptors significantly influenced their photoswitching properties by altering thermal barriers to isomerization. The thermal barrier between the most stable linear isomer and the photo ...
Varying the donor and/or acceptor provides a route to the study of compounds containing localized hydrogen bonds as well as those that display tautomerism. Larger temperature variations are observed for the latter, this being a consequence of the change in the tautomeric equilibrium upon change of...