Polarizability of isomeric and related interstellar compounds in the aspect of their abundance

Polarizability in Astrochemical Studies of Complex Carbon-Based Compounds

“…Thus, the minimum-energy principle is not sufficient to catch all the features of chemical processes in interstellar/circumstellar media, and we try to explain problematic cases with polarizability . In most cases, the polarizability and energy estimates are consistent, and most abundant molecules have the lowest mean polarizabilities as compared with their isomers (Table ); for example, the increase in mean polarizability α­(HC 3 N) < α­(HC 2 NC) < α­(HNC 3 :) is consistent with the decreasing abundancy [HC 3 N] > [HC 2 NC] > [HNC 3 :].…”

“… a Reprinted from ref © 2018 Elsevier. Hereinafter, the valence deficiencies for C 3 H and C 3 H 2 isomers are shown; acronyms l and cyc mean linear and cyclic structures, respectively. b Designations of interstellar objects: molecular clouds (MC), hot cores and hot corinos (HC), photodissociation regions (PDR), and asymptotic giant branch stars (AGB). …”

“… a Reprinted from ref © 2018 Elsevier. Hereinafter, the valence deficiencies for C 3 H and C 3 H 2 isomers are shown; acronyms l and cyc mean linear and cyclic structures, respectively. …”

“… a Reprinted from ref © 2018 Elsevier. b The valence deficiencies for C 3 H and C 3 H 2 isomers are shown. Acronyms l and cyc mean linear and cyclic structures, respectively. c Δα = α isomer – α most stable isomer . d The PBE/Λ22m DFT calculations.…”

“…Additionally, it is an easily computable molecular property. We efficiently used it to predict the physicochemical behavior and reactivity of fullerene compounds , and recently found it useful for theoretical astrochemistry studies (see our key work in ref ).…”