Interactions between isocyanic acid and atmospheric acidic, neutral and basic species
Sign Up to like & getrecommendations! Published in 2021 at "Computational and Theoretical Chemistry"
DOI: 10.1016/j.comptc.2021.113384
Abstract: Abstract The properties of atmospheric nucleation precursors have effects on the physical and chemical behavior of particulate matter. However, molecular understanding of how acidic, neutral and basic gas molecules impact the new particle formation in… read more here.
Keywords: acid atmospheric; acidic neutral; basic species; neutral basic ... See more keywords
High concentrations of atmospheric isocyanic acid (HNCO) produced from secondary sources in China.
Sign Up to like & getrecommendations! Published in 2020 at "Environmental science & technology"
DOI: 10.1021/acs.est.0c02843
Abstract: Isocyanic acid (HNCO) is a potentially toxic atmospheric pollutant, whose atmospheric concentrations are hypothesized to be linked to adverse health effects. An earlier model study estimated that concentrations of isocyanic acid in China are highest… read more here.
Keywords: isocyanic acid; acid hnco; high concentrations; produced secondary ... See more keywords
Behavior of Isocyanic Acid and Other Nitrogen-Containing Volatile Organic Compounds in The Indoor Environment.
Sign Up to like & getrecommendations! Published in 2022 at "Environmental science & technology"
DOI: 10.1021/acs.est.1c08182
Abstract: Isocyanic acid (HNCO) and other nitrogen-containing volatile chemicals (organic isocyanates, hydrogen cyanide, nitriles, amines, amides) were measured during the House Observation of Microbial and Environmental Chemistry (HOMEChem) campaign. The indoor HNCO mean mixing ratio was… read more here.
Keywords: containing volatile; nitrogen containing; hnco; nitrogen ... See more keywords
Gas Phase Reaction of Isocyanic Acid: Kinetics, Mechanisms, and Formation of Isopropyl Aminocarbonyl
Sign Up to like & getrecommendations! Published in 2021 at "ACS Omega"
DOI: 10.1021/acsomega.1c05063
Abstract: Isocyanic acid, HNCO, mainly emitted by combustion processes, is doubted to be detrimental to human health if its concentration surpasses ∼1 ppbv. Very little information has been found regarding the HNCO loss in the gas… read more here.
Keywords: reaction; rate; kcal mol; abstraction ... See more keywords
Solvation and Hydrolysis Reaction of Isocyanic Acid at the Air-Water Interface: A Computational Study.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.1c10703
Abstract: Isocyanic acid (HNCO) is known to be inert to strong oxidants and photolysis in the atmosphere but often appears in different forms of smoke; therefore, it is linked to various smoke-related illnesses due to tobacco… read more here.
Keywords: reaction; water; hnco; solvation ... See more keywords
Matrix Isolation FTIR and Theoretical Study of Weakly Bound Complexes of Isocyanic Acid with Nitrogen
Sign Up to like & getrecommendations! Published in 2022 at "Molecules"
DOI: 10.3390/molecules27020495
Abstract: Weak complexes of isocyanic acid (HNCO) with nitrogen were studied computationally employing MP2, B2PLYPD3 and B3LYPD3 methods and experimentally by FTIR matrix isolation technique. The results show that HNCO interacts specifically with N2. For the… read more here.
Keywords: isocyanic acid; complexes isocyanic; nitrogen; matrix isolation ... See more keywords