An experimental and theoretical characterization of the electronic structure of doubly ionised disulfur

Autor: Emelie Olsson, Tarek Ayari, Veronica Ideböhn, Måns Wallner, Richard J. Squibb, Jonas Andersson, Andreas Hult Roos, Stefano Stranges, John M. Dyke, John H. D. Eland, Majdi Hochlaf, Raimund Feifel

Publikováno v: Scientific Reports, Vol 12, Iss 1, Pp 1-10 (2022)

Abstract Using time-of-flight multiple electron and ion coincidence techniques in combination with a helium gas discharge lamp and synchrotron radiation, the double ionisation spectrum of disulfur (S $$_2$$ 2 ) and the subsequent fragmentation dynami

Externí odkaz: https://doaj.org/article/7dd5ee58595448949a736716e9d39a80

A study of the thermodynamics and mechanisms of the atmospherically relevant reaction dimethyl sulphide (DMS) with atomic chlorine (Cl) in the absence and presence of water, using electronic structure methods

Autor: Lydia Rhyman, Edmond P. F. Lee, Ponnadurai Ramasami, John M. Dyke

The thermodynamics and mechanisms of the atmospherically relevant reaction dimethyl sulphide (DMS) + atomic chlorine (Cl) were investigated in the absence and presence of a single water molecule, using electronic structure methods. Stationary points

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::07cdf9635bd00192e50ce48c448c8ef0
https://eprints.soton.ac.uk/475556/

Comment on 'Impact of water on the BrO + HO2 gas-phase reaction: mechanism, kinetics and products' by N. T. Tsona, S. Tang and L. Du, Phys. Chem. Chem. Phys., 2019, 21, 20296

Autor: Ronald Chow, Daniel K. W. Mok, John M. Dyke, Edmond P. F. Lee

Publikováno v: Physical Chemistry Chemical Physics. 23:6309-6315

The reaction, BrO + HO2 → HOBr + O2, is exothermic and can produce O2 in both its ground state (X3∑g-) and its first excited state (ã1Δg). As a result, this reaction can proceed on both a singlet and a triplet potential energy surface. Recently

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6476b8573a59b19b5b58f07fd1b9c0d0
https://doi.org/10.1039/d0cp00222d

Double and triple ionisation of isocyanic acid

Autor: Fernanda Duarte, Richard J. Squibb, J. H. D. Eland, E. Johansson, Stefano Stranges, Raimund Feifel, John M. Dyke, Joakim Andersson, A. Hult Roos, A. Teichter, V. Axelsson, Alistair J. Sterling, M. Wallner, Brunetto Giovanni Brunetti

Publikováno v: Scientific reports (Nature Publishing Group) 10 (2020): 2288–2296. doi:10.1038/s41598-020-59217-7
info:cnr-pdr/source/autori:Eland J.H.D.; Squibb R.J.; Sterling A.J.; Wallner M.; Roos A.H.; Andersson J.; Axelsson V.; Johansson E.; Teichter A.; Stranges S.; Brunetti B.; Dyke J.M.; Duarte F.; Feifel R./titolo:Double and Triple Ionisation of Isocyanic Acid/doi:10.1038%2Fs41598-020-59217-7/rivista:Scientific reports (Nature Publishing Group)/anno:2020/pagina_da:2288/pagina_a:2296/intervallo_pagine:2288–2296/volume:10
Scientific Reports
Scientific Reports, Vol 10, Iss 1, Pp 1-9 (2020)
Scientific reports, vol 10, iss 1

Double and triple ionisation spectra of the reactive molecule isocyanic acid (HNCO) have been measured using multi-electron and ion coincidence techniques combined with synchrotron radiation and compared with high-level theoretical calculations. Vert

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2698135e019b662ea0a437b02e37a900
https://eprints.soton.ac.uk/437962/

Tertiary phosphine and arsine complexes of phosphorus pentafluoride, synthesis, properties and electronic structures

Autor: William Levason, James W. Emsley, Gillian Reid, Giuseppina De Luca, John M. Dyke, Victoria K. Greenacre, Francesco M. Monzittu

The reaction of PMe 3 or PPh 3 with PF 5 in anhydrous CH 2Cl 2 or hexane forms the white, moisture-sensitive complexes [PF 5(PR 3)] (R = Me, Ph). Similar reactions involving the diphosphines o-C 6H 4(PR 2) 2 afford the complexes [PF 4{o-C 6H 4(PR 2)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::57e9231abae52feb01622af4b7ce9fc4
https://eprints.soton.ac.uk/438513/