Zuo, Chenpeng published the artcileA theoretical study of hydrogen-bonded molecular clusters of sulfuric acid and organic acids with amides, Quality Control of 123-39-7, the main research area is hydrogen bond mol cluster sulfuric acid organic amide; Amides; Hydrogen bond; Nucleation; Organic acids; Sulfuric acid.
Amides, a series of significant atm. nitrogen-containing volatile organic compounds (VOCs), can participate in new particle formation (NPF) through interacting with sulfuric acid (SA) and organic acids. In this study, we investigated the mol. interactions of formamide (FA), acetamide (AA), N-methylformamide (MF), propanamide (PA), N-methylacetamide (MA), and N, N-dimethylformamide (DMF) with SA, acetic acid (HAC), propanoic acid (PAC), oxalic acid (OA), and malonic acid (MOA). Global min. of clusters were obtained through the association of the artificial bee colony (ABC) algorithm and d. functional theory (DFT) calculations The conformational anal., thermochem. anal., frequency anal., and topol. anal. were conducted to determine the interactions of hydrogen-bonded mol. clusters. The heterodimers formed a hepta or octa membered ring through four different types of hydrogen bonds, and the strength of the bonds are ranked in the following order: SO-HO > CO-HO > N-HO > C-HO. We also evaluated the stability of the clusters and found that the stabilization effect of amides with SA is weaker than that of amines with SA but stronger than that of ammonia (NH3) with SA in the dimer formation of nucleation process. Addnl., the nucleation capacity of SA with amides is greater than that of organic acids with amides.
Journal of Environmental Sciences (Beijing, China) published new progress about Bond angle. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Quality Control of 123-39-7.
Referemce:
Amide – Wikipedia,
Amide – an overview | ScienceDirect Topics