Standard Gibbs energies of formation and equilibrium constants from ab-initio calculations: Covalent dimerization of NO2 and synthesis of NH3. The Journal of Chemical Thermodynamics 2013, 62 , 211-221. https://doi.org/10.1016/j.jct.2013.03.011

2020年12月15日 · Hydrolysis of NO 2 dimer is of great interest in atmospheric chemistry because it can form HONO, a major source of OH in polluted urban atmospheres. Herein, the reaction mechanism and kinetics for the hydrolysis of trans -ONONO 2 (the favorable route in the hydrolysis of NO 2 dimer) catalyzed by catalyst X (X = H 2 SO 4, H 2 SO 4⋯ H 2 O, and ...

2021年9月20日 · In this study, we employ quantum chemical calculations and ab initio molecular dynamics simulations to investigate the reaction between the NO 2 dimer (ONONO 2) and sulfite (HSO 3– /SO 32–) in the gas phase and in an aerosol.

In this study, we employ quantum chemical calculations and ab initio molecular dynamics simulations to investigate the reaction between the NO dimer (ONONO) and sulfite (HSO) in the gas phase and in an aerosol. Gas-phase reactions turn out to be barrierless.

1994年5月20日 · Although it is clear that hydrogen abstraction by NO2- does take place in the liquid phase, these reactions generally appear to be too slow at room temperature for the rate constants to be measured quantitatively, particularly in aqueous solutions where the loss of NO2. by hydrolysis of the dimer is fast.

In the present manuscript we reviewed experimental and theo-retical information about the (NO)2 dimer and about the cor-responding ionic species, and compare and discuss the present results in...

2013年4月12日 · We suggest that the discrepancy in the results observed by us and Melko et al. may be attributed to a reaction with the dimer (NO) 2. This possibility was dismissed in our earlier work as the dimer concentration under the flow tube conditions was calculated to be below 10 –5 % of the monomer, but the new results of J. J. Melko et al. raise ...

A bond where two molecules of the same species combine to form an adduct with a new covalent bond, such a molecule is called a dimer. Once the free radical pairing is complete, the …

2018年11月1日 · (i) It is because NO2 contains odd number of valence electrons. On dimerisation, it is converted to stable N2O4 molecule with even number of electrons. (ii) In …

NO 2 dimerises because it contains an odd number of valence electrons and leads to the delocalisation of unpaired electrons. Upon dimerisation, it forms a more stable N 2 O 4 molecule with an even number of electrons.