Matches in SemOpenAlex for { <https://semopenalex.org/work/W4387340478> ?p ?o ?g. }
- W4387340478 endingPage "22" @default.
- W4387340478 startingPage "22" @default.
- W4387340478 abstract "Abstract The photodecomposition of methanimine (CH 2 NH) in the interstellar medium through several possible pathways is investigated by means of high-level multireference configuration interaction ab initio calculations. Among these pathways are photodissociation pathways involving hydrogen-atom elimination from both the CH 2 and NH groups, and fragmentation into CH 2 and NH. Potential-energy curves for the ground and several excited electronic states, as well as nonadiabatic couplings between them, are calculated. Possible dissociation mechanisms are discussed for the different pathways. It is found that the minimum excitation energy required for methanimine dissociation is above 7 eV. By using a two-dimensional representation of methanimine, CH 2 NH → CHNH 2 isomerization is explored as an additional methanimine decomposition pathway. Hydrogen-atom elimination from the CH 2 group is also investigated along the isomerization pathway. The results show that the isomerization proceeds by overcoming a transition state that in the first two excited states would require excitation energies similar to or somewhat lower than the typical minimum energies needed for breaking the molecule through the fragmentation pathways. Therefore, CH 2 NH → CHNH 2 isomerization can effectively contribute to methanimine decomposition, competing efficiently with the photodissociation pathways. The radiation content present in the interstellar medium makes possible the occurrence of all the pathways studied." @default.
- W4387340478 created "2023-10-05" @default.
- W4387340478 creator A5022593874 @default.
- W4387340478 creator A5042236281 @default.
- W4387340478 creator A5045360495 @default.
- W4387340478 creator A5054172473 @default.
- W4387340478 creator A5090935249 @default.
- W4387340478 date "2023-10-01" @default.
- W4387340478 modified "2023-10-18" @default.
- W4387340478 title "A High-level Ab Initio Study of the Destruction of Methanimine under UV Radiation" @default.
- W4387340478 cites W1492122252 @default.
- W4387340478 cites W1968953817 @default.
- W4387340478 cites W1974985672 @default.
- W4387340478 cites W1979574640 @default.
- W4387340478 cites W1980104079 @default.
- W4387340478 cites W1981168131 @default.
- W4387340478 cites W2001509760 @default.
- W4387340478 cites W2002249160 @default.
- W4387340478 cites W2005342781 @default.
- W4387340478 cites W2008082462 @default.
- W4387340478 cites W2011406173 @default.
- W4387340478 cites W2012939291 @default.
- W4387340478 cites W2013265023 @default.
- W4387340478 cites W2014031306 @default.
- W4387340478 cites W2023140054 @default.
- W4387340478 cites W2023423592 @default.
- W4387340478 cites W2024011803 @default.
- W4387340478 cites W2029694292 @default.
- W4387340478 cites W2035337015 @default.
- W4387340478 cites W2038416916 @default.
- W4387340478 cites W2038536296 @default.
- W4387340478 cites W2038922877 @default.
- W4387340478 cites W2039580059 @default.
- W4387340478 cites W2040647288 @default.
- W4387340478 cites W2040900125 @default.
- W4387340478 cites W2046252896 @default.
- W4387340478 cites W2050512075 @default.
- W4387340478 cites W2053807578 @default.
- W4387340478 cites W2053967659 @default.
- W4387340478 cites W2068474360 @default.
- W4387340478 cites W2069006374 @default.
- W4387340478 cites W2083022387 @default.
- W4387340478 cites W2087000531 @default.
- W4387340478 cites W2092350697 @default.
- W4387340478 cites W2102236893 @default.
- W4387340478 cites W2109214912 @default.
- W4387340478 cites W2111971683 @default.
- W4387340478 cites W2143568870 @default.
- W4387340478 cites W2145620958 @default.
- W4387340478 cites W2149751608 @default.
- W4387340478 cites W2234122538 @default.
- W4387340478 cites W2903685926 @default.
- W4387340478 cites W2945821840 @default.
- W4387340478 cites W2949173897 @default.
- W4387340478 cites W2953363794 @default.
- W4387340478 cites W2977133671 @default.
- W4387340478 cites W3005018037 @default.
- W4387340478 cites W3101854642 @default.
- W4387340478 cites W3119473722 @default.
- W4387340478 cites W3123957495 @default.
- W4387340478 cites W3194254259 @default.
- W4387340478 cites W3201724162 @default.
- W4387340478 cites W4214675047 @default.
- W4387340478 cites W4231215161 @default.
- W4387340478 cites W4238014822 @default.
- W4387340478 cites W4244494745 @default.
- W4387340478 cites W4246447715 @default.
- W4387340478 cites W4254296590 @default.
- W4387340478 cites W4255916494 @default.
- W4387340478 cites W4256054180 @default.
- W4387340478 doi "https://doi.org/10.3847/1538-4357/acf311" @default.
- W4387340478 hasPublicationYear "2023" @default.
- W4387340478 type Work @default.
- W4387340478 citedByCount "0" @default.
- W4387340478 crossrefType "journal-article" @default.
- W4387340478 hasAuthorship W4387340478A5022593874 @default.
- W4387340478 hasAuthorship W4387340478A5042236281 @default.
- W4387340478 hasAuthorship W4387340478A5045360495 @default.
- W4387340478 hasAuthorship W4387340478A5054172473 @default.
- W4387340478 hasAuthorship W4387340478A5090935249 @default.
- W4387340478 hasBestOaLocation W43873404781 @default.
- W4387340478 hasConcept C101848323 @default.
- W4387340478 hasConcept C102931765 @default.
- W4387340478 hasConcept C111919701 @default.
- W4387340478 hasConcept C121332964 @default.
- W4387340478 hasConcept C126661725 @default.
- W4387340478 hasConcept C147597530 @default.
- W4387340478 hasConcept C147789679 @default.
- W4387340478 hasConcept C161790260 @default.
- W4387340478 hasConcept C181500209 @default.
- W4387340478 hasConcept C183971685 @default.
- W4387340478 hasConcept C184779094 @default.
- W4387340478 hasConcept C185592680 @default.
- W4387340478 hasConcept C191015642 @default.
- W4387340478 hasConcept C2777529809 @default.
- W4387340478 hasConcept C2781442258 @default.
- W4387340478 hasConcept C32909587 @default.
- W4387340478 hasConcept C41008148 @default.