نتایج جستجو برای: conventional and unconventional intramolecular hydrogen bond
تعداد نتایج: 16884356 فیلتر نتایج به سال:
The mol-ecule of the title compound, C(14)H(10)Cl(2)N(2)O(2), displays a trans configuration with respect to the C=N double bond and has an intramolecular O-H⋯N hydrogen bond. The dihedral angle between the two benzene rings is 1.4 (2)°. In the crystal structure, mol-ecules are linked through inter-molecular N-H⋯O hydrogen bonds, forming chains running along the a direction.
3-Aminomethylation of salicylalkylamides afforded hybrids with a Mannich base. In addition, it triggered the rotation of the amide bond. The observed conformational switch is driven by strong intramolecular hydrogen bonding between the Mannich base and phenolic group. Crystal structure analysis reveals the stabilization of the hybrid molecules by double hydrogen bonding of the phenolic OH, whic...
on this project we try to calculated power of hydrogen on dycarbonil compound in different ways ; the first way is shoster way , for sain power of hydrogen notice the different power between central conforms on it and main conform that’s didn’t have hydrogen joint . or in other way different of energy between open and close form. second way, is average way? this is for way that studied conf...
have been structurally characterized, relatively few free Schiff bases have been similarly characterized.1 N-Substituted salicylaldimines show photochromism and thermochromism in the solid state. These effects are produced by intramolecular proton transfer associated with a change in the π-electron configuration.2 As part of a general study of tetradentate Schiff bases, we determined the struct...
the study of air infiltration into the buildings is important from several perspectives that may be noted to energy and design of hvac systems, indoor air quality and thermal comfort and design of smoke control systems. given the importance of this issue, an experimental and numerical study of air infiltration through conventional doors and windows has been explored in iran. to this end, at fir...
The reliability of four force fields developed for 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids are compared to an ab inito molecular dynamics simulation regarding structural properties. Except the hydrogen bond structure between the most acidic hydrogen atom of the imidazolium ring and the nitrogen atom of the anion as well as the intramolecular potential surface...
A combined experimental and theoretical study of one oxaphosphinane derivative was made on the basis of a topological analysis of its electron density distributions. The electron density was determined from a high-resolution X-ray diffraction data set measured with synchrotron radiation at 100 K, whereas theoretical calculations were performed using density functional theory (DFT) methods at th...
We characterize a highly unusual, charged NH-O hydrogen bond formed within esters of 8-(dimethylamino)naphthalen-1-ol in which an ammonium ion serves as an intramolecular hydrogen bond donor to spatially proximate ester ether oxygen atoms. Infrared spectroscopic analysis of the ester carbonyl frequencies demonstrates significant blue-shifting when ether hydrogen bonding is possible, in stark co...
Replacing conventional dialkylamino substituents with a three-membered aziridine ring in naphthalimide leads to significantly enhanced brightness and photostability by effectively suppressing twisted intramolecular charge transfer formation. This replacement is generalizable in other chemical families of fluorophores, such as coumarin, phthalimide, and nitrobenzoxadiazole dyes. In highly polar ...
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