Benchmark thermochemistry of chloramines, bromamines, and bromochloramines: halogen oxidants stabilized by electron correlation-Reference-Cited by-同舟云学术

Benchmark thermochemistry of chloramines, bromamines, and bromochloramines: halogen oxidants stabilized by electron correlation

Published:2015 Issue:5 Volume:17 Page:3584-3598
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Trogolo Daniela¹²³⁴,Arey J. Samuel¹²³⁴

Affiliation:

1. Environmental Chemistry Modeling Laboratory

2. École Polytechnique Fédérale de Lausanne (EPFL)

3. 1015 Lausanne

4. Switzerland

Abstract

The free energy of the formation of NH₂Br at 298 K can be estimated by taking into account the total atomization energy of NH₂Br and the atomic and molecular contributions to the enthalpy and the entropy of formation of NH₂Br at 0 K and 298 K.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2015/CP/C4CP03987D

Reference145 articles.

1. Health impact of disinfection by-products in swimming pools

2. Aqueous chemistry of N-halo-compounds

3. National Research Council , Drinking Water and Health, The National Academies Press, Washington, DC, 1980, vol. 2

4. National Research Council , Drinking Water and Health, Disinfectants and Disinfectants By-Products, The National Academies Press, Washington, DC, 1987, vol. 7

5. U.S. Environmental Protection Agency , Information about Chloramine in Drinking Water, 2012

Cited by 8 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Active Thermochemical Tables: Enthalpies of Formation of Bromo- and Iodo-Methanes, Ethenes and Ethynes;The Journal of Physical Chemistry A;2023-01-12

2. Critical benchmarking of popular composite thermochemistry models and density functional approximations on a probabilistically pruned benchmark dataset of formation enthalpies;The Journal of Chemical Physics;2021-01-28

3. Simultaneous removal of hydrogen sulfide and ammonia using a combined system with absorption and electrochemical oxidation;Journal of Environmental Science and Health, Part A;2019-08-18

4. Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory Calculations;The Journal of Physical Chemistry A;2019-01-04

5. Heterocycles Derived from Generating Monovalent Pnictogens within NCN Pincers and Bidentate NC Chelates: Hypervalency versus Bell-Clappers versus Static Aromatics;Organometallics;2018-07-16