Ion-Molecule Reaction Kinetics of C2H+ and COH+ with a permanent dipole NH3 molecule

Ion-Molecule Reaction Kinetics of C2H+ and COH+ with a permanent dipole NH3 molecule | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Research Article Ion-Molecule Reaction Kinetics of C 2 H + and COH + with a permanent dipole NH 3 molecule Washington B. da Silva, Alessandra F. Albernaz, Eberth Correa This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-5334617/v1 This work is licensed under a CC BY 4.0 License Status: Posted Version 1 posted You are reading this latest preprint version Abstract In this work, the ab initio potential energy surfaces were calculated for the COH+ + NH3 and C2H+ + NH3 reactions. To calculate the rate constants we employed three different methods: Master Equation Solver for Multi-Energy Well Reactions , and two well established capture theories, ADO and AADO. The last ones were revised from the original paper by Su et al.[1], and the revised equations can be found in our Appendix. To obtain the respective rate constants through the ADO and AADO theories we propose an analytical approximation for the relation between the relative velocity, v, of the reactants and the critical impact parameter, bc in the capture theory used for ADO and AADO. The resulting rate constants in the interval from 200 K to 1000 K were obtained and compared in different theories. Ion-Molecule Reaction ADO AADO Full Text Additional Declarations No competing interests reported. Cite Share Download PDF Status: Posted Version 1 posted You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. We do this by developing innovative software and high quality services for the global research community. Our growing team is made up of researchers and industry professionals working together to solve the most critical problems facing scientific publishing. Also discoverable on Platform About Our Team In Review Editorial Policies Advisory Board Help Center Resources Author Services Accessibility API Access RSS feed Manage Cookie Preferences © Research Square 2026 | ISSN 2693-5015 (online) Privacy Policy Terms of Service Do Not Sell My Personal Information {"props":{"pageProps":{"initialData":{"identity":"rs-5334617","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":371291882,"identity":"16482533-1134-42b5-9a11-577a5f2d616d","order_by":0,"name":"Washington B. da Silva","email":"","orcid":"","institution":"Military College of Brasilia","correspondingAuthor":false,"prefix":"","firstName":"Washington","middleName":"B. da","lastName":"Silva","suffix":""},{"id":371291883,"identity":"1b7a8bb9-8c6f-4321-a53b-fc701c444f36","order_by":1,"name":"Alessandra F. 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