Global trends of acidity in rainfall and its impact on plants and soil

J Prakash, SB Agrawal, M Agrawal - Journal of Soil Science and Plant …, 2023 - Springer
Due to its deleterious and large-scale effects on the ecosystem and long-range
transboundary nature, acid rain has attracted the attention of scientists and policymakers …

New 3d multifunctional metal chelates of sulfonamide: spectral, vibrational, molecular modeling, DFT, medicinal and in silico studies

AU Hassan, SH Sumrra, M Imran, ZH Chohan - Journal of Molecular …, 2022 - Elsevier
We are reporting a new synthetic design of sulfonamide entangled Schiff base ligands as H
2 L 1 and H 2 L 2 from 4-amino-N-(3-methyl-1, 2-oxazol-5-yl) benzene-1-sulfonamide and …

Atmospheric Chemistry of NH2SO3H in Polluted Areas: An Unexpected Isomerization of NH2SO3H in Acid-Polluted Regions

Y Zhang, Z Wang, H Wang, Y Cheng… - The Journal of …, 2023 - ACS Publications
NH2SO3H is an effective nucleation agent for the formation of atmospheric aerosols and
cloud particles. So, the ammonolysis of SO3 to form NH2SO3H without and with neutral …

Oxidation of HOSO˙ by Cl˙: a new source of SO 2 in the atmosphere?

A Kumar, S Mallick, P Kumar - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
In the present work, we have studied the formation of SO2 in the atmosphere from the
oxidation of HOSO˙ by Cl˙ at the CCSD (T)/aug-cc-pV (+ d) TZ//MP2/aug-cc-pV (+ d) TZ level …

Molecular mechanisms and atmospheric implications of the simplest criegee intermediate and hydrochloric acid chemistry in the gas phase and at the aqueous …

C Ding, M Wen, T Zhang, Z Li, R Li, R Wang, T Ou… - Atmospheric …, 2024 - Elsevier
The atmospheric chemistry of Criegee Intermediates has become a frontier research point in
environmental pollution in recent years. In this work, quantum chemical calculations and …

Barrierless reactions of C2 Criegee intermediates with H2SO4 and their implication to oligomers and new particle formation

Y Cheng, C Ding, T Zhang, R Wang, R Mu, Z Li… - Journal of …, 2025 - Elsevier
The formation of oligomeric hydrogen peroxide triggered by Criegee intermediate maybe
contributes significantly to the formation and growth of secondary organic aerosol (SOA) …

Hydrolysis of SO3 in Small Clusters of Sulfuric Acid: Mechanistic and Kinetic Study

Y Cheng, R Wang, Y Chen, S Tian, N Gao… - ACS Earth and Space …, 2022 - ACS Publications
The hydrolysis of SO3 plays an important role in atmospheric sulfuric acid formation. It has
been found that the neutral (H2O and (H2O) 2), basic (NH3), and acidic (HNO3, HCOOH …

A possible atmospheric source of HNO 3: the ammonolysis reaction of tN 2 O 4 in the presence of water monomer, water dimer, and sulfuric acid

R Mu, W Zhou, Z Hong, R Wang, Q Liu… - Environmental …, 2023 - pubs.rsc.org
Although the ammonolysis of t-N2O4 is one of the potential sources of HNO3 formation, the
available studies have only focused on its naked reaction. Herein, the effect of important …

Accurate determination of reaction energetics and kinetics of the HO 2˙+ O 3→ OH˙+ 2O 2 reaction

PK Rai, P Kumar - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
In the present work, we have studied the HO2˙+ O3→ HO˙+ 2O2 reaction using chemical
kinetics and quantum chemical calculations. We have employed the post-CCSD (T) method …

Oxidation of HOSO˙ by O 2 (3 Σ g−): a key reaction deciding the fate of HOSO˙ in the atmosphere

PK Rai, S Sarkar, B Bandyopadhyay… - Physical Chemistry …, 2022 - pubs.rsc.org
In the present work, we have studied the oxidation of HOSO˙ by O2 (3Σg−) employing
quantum chemical and kinetic calculations. The present work reveals that HOSO˙+ O2 …