Over the past two decades, Raevsky and coworkers 1 have prepared a large database (>12,000 entries) of thermodynamic measurements on H-bonding systems. From these data, the Russian team developed a method to estimate the H-bond acceptor and donor strengths of various chemical moieties. Both...
The bonding between a hydrogen bond donor and an acceptor atom is very selective and can be defined in terms of specific distance and angle between them, as well as directionality. Various theoretical ab initio studies on the hydrogen-bonding pattern have shown the H-bond to be highly ...
hydrogen bondingkineticsphotochromismphotoswitchingThe 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...
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...
We present machine learning (ML) models for hydrogen bond acceptor (HBA) and hydrogen bond donor (HBD) strengths. Quantum chemical (QC) free energies in solution for 1:1 hydrogen-bonded complex formation to the reference molecules 4-fluorophenol and acet
Kumai, Y. Tokura, Hydrogen-bonded donor-acceptor compounds for organic ferroelectric materials, Chem. Comm. 23 (2007) 2321-2329.Horiuchi, S.; Kumai, R.; Tokura, Y. Hydrogen-Bonded Donor- Acceptor Compounds for Organic Ferroelectric Materials. Chem. Commun. 2007, 2321-2329....
(Chemistry) a weak chemical bond between an electronegative atom, such as fluorine, oxygen, or nitrogen, and a hydrogen atom bound to another electronegative atom. Hydrogen bonds are responsible for the properties of water and many biological molecules ...
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 ...
A single-parameter correlation of the formation constants versus α (hydrogen-bond donor acidity), β (hydrogen-bond acceptor basicity) and π* (di... FL Soltani - 《Journal of Molecular Liquids》 被引量: 5发表: 2013年 Fourier Transform Attenuated Total Reflection Infrared Spectroscopy (ATR/FT...
氢键的协同作用驱动水中苯甲醛的合成 Synergistic effect of hydrogen bonding mediated selective synthesis of benzaldehyde in water 热度: Dipole-dipole forces, London forces, and hydrogen bonding偶极-偶极力量,伦敦力,和氢键 热度: 一种基于羧基卟啉配体构筑的氢键有机框架材料及其制备方法和应用 ...