Elucidating the Formation of Ethynylbutatrienylidene (HCCCHCCC; X1A′) in the Taurus Molecular Cloud (TMC-1) via the Gas-phase Reaction of Tricarbon (C3) with the Propargyl Radical (C3H3)
The recent astronomical detection of ethynylbutatrienylidene (HCCCHCCC)—a high-energy isomer of triacetylene (HCCCCCCH) and hexapentaenylidene (H _2 CCCCCC)—in TMC-1 puzzled the laboratory astrophysics community since proposed reaction pathways could not synthesize the ethynylbutatrienylidene (HCCCH...
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| Format: | Article |
| Language: | English |
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IOP Publishing
2023-01-01
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| Series: | The Astrophysical Journal Letters |
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| Online Access: | https://doi.org/10.3847/2041-8213/acbf41 |
| _version_ | 1797695806366547968 |
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| author | Alexander M. Mebel Marcelino Agúndez José Cernicharo Ralf I. Kaiser |
| author_facet | Alexander M. Mebel Marcelino Agúndez José Cernicharo Ralf I. Kaiser |
| author_sort | Alexander M. Mebel |
| collection | DOAJ |
| description | The recent astronomical detection of ethynylbutatrienylidene (HCCCHCCC)—a high-energy isomer of triacetylene (HCCCCCCH) and hexapentaenylidene (H _2 CCCCCC)—in TMC-1 puzzled the laboratory astrophysics community since proposed reaction pathways could not synthesize the ethynylbutatrienylidene (HCCCHCCC) under cold molecular cloud conditions. Exploiting a retrosynthesis coupled with electronic structure calculations and astrochemical modeling, we reveal that observed fractional abundance of ethynylbutatrienylidene (HCCCHCCC) of 1.3 ± 0.2 × 10 ^−11 can be quantitatively replicated though the barrierless and exoergic reaction of tricarbon (C _3 ) with the resonantly stabilized propargyl radical (C _3 H _3 ) after a few 10 ^5 yr—typical ages of cold molecular clouds. Our study provides persuasive evidence that previously assumed “dead” reactants such as tricarbon (C _3 ) and the propargyl radical (C _3 H _3 ) provide fundamental molecular building blocks in molecular mass growth processes leading to exotic, high-energy isomers of hydrocarbons: ethynylbutatrienylidene (HCCCHCCC). |
| first_indexed | 2024-03-12T03:17:30Z |
| format | Article |
| id | doaj.art-df1943f0cf6a46cab8e1f09f1c87ab60 |
| institution | Directory Open Access Journal |
| issn | 2041-8205 |
| language | English |
| last_indexed | 2024-03-12T03:17:30Z |
| publishDate | 2023-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | The Astrophysical Journal Letters |
| spelling | doaj.art-df1943f0cf6a46cab8e1f09f1c87ab602023-09-03T14:08:28ZengIOP PublishingThe Astrophysical Journal Letters2041-82052023-01-019452L4010.3847/2041-8213/acbf41Elucidating the Formation of Ethynylbutatrienylidene (HCCCHCCC; X1A′) in the Taurus Molecular Cloud (TMC-1) via the Gas-phase Reaction of Tricarbon (C3) with the Propargyl Radical (C3H3)Alexander M. Mebel0https://orcid.org/0000-0002-7233-3133Marcelino Agúndez1https://orcid.org/0000-0003-3248-3564José Cernicharo2https://orcid.org/0000-0002-3518-2524Ralf I. Kaiser3https://orcid.org/0000-0002-7233-7206Department of Chemistry and Biochemistry, Florida International University , Miami, FL 33199, USA ; mebela@fiu.eduDepartmento de Astrofisica Molecular, Instituto de Fisica Fundamental , Serrano 121, E-28006 Madrid, Spain ; marcelino.agundez@csic.es, jose.cernicharo@csic.esDepartmento de Astrofisica Molecular, Instituto de Fisica Fundamental , Serrano 121, E-28006 Madrid, Spain ; marcelino.agundez@csic.es, jose.cernicharo@csic.esDepartment of Chemistry, University of Hawai‘i at Manoa , Honolulu, HI 96822, USA ; ralfk@hawaii.eduThe recent astronomical detection of ethynylbutatrienylidene (HCCCHCCC)—a high-energy isomer of triacetylene (HCCCCCCH) and hexapentaenylidene (H _2 CCCCCC)—in TMC-1 puzzled the laboratory astrophysics community since proposed reaction pathways could not synthesize the ethynylbutatrienylidene (HCCCHCCC) under cold molecular cloud conditions. Exploiting a retrosynthesis coupled with electronic structure calculations and astrochemical modeling, we reveal that observed fractional abundance of ethynylbutatrienylidene (HCCCHCCC) of 1.3 ± 0.2 × 10 ^−11 can be quantitatively replicated though the barrierless and exoergic reaction of tricarbon (C _3 ) with the resonantly stabilized propargyl radical (C _3 H _3 ) after a few 10 ^5 yr—typical ages of cold molecular clouds. Our study provides persuasive evidence that previously assumed “dead” reactants such as tricarbon (C _3 ) and the propargyl radical (C _3 H _3 ) provide fundamental molecular building blocks in molecular mass growth processes leading to exotic, high-energy isomers of hydrocarbons: ethynylbutatrienylidene (HCCCHCCC).https://doi.org/10.3847/2041-8213/acbf41AstrochemistryInterstellar dustLaboratory astrophysics |
| spellingShingle | Alexander M. Mebel Marcelino Agúndez José Cernicharo Ralf I. Kaiser Elucidating the Formation of Ethynylbutatrienylidene (HCCCHCCC; X1A′) in the Taurus Molecular Cloud (TMC-1) via the Gas-phase Reaction of Tricarbon (C3) with the Propargyl Radical (C3H3) The Astrophysical Journal Letters Astrochemistry Interstellar dust Laboratory astrophysics |
| title | Elucidating the Formation of Ethynylbutatrienylidene (HCCCHCCC; X1A′) in the Taurus Molecular Cloud (TMC-1) via the Gas-phase Reaction of Tricarbon (C3) with the Propargyl Radical (C3H3) |
| title_full | Elucidating the Formation of Ethynylbutatrienylidene (HCCCHCCC; X1A′) in the Taurus Molecular Cloud (TMC-1) via the Gas-phase Reaction of Tricarbon (C3) with the Propargyl Radical (C3H3) |
| title_fullStr | Elucidating the Formation of Ethynylbutatrienylidene (HCCCHCCC; X1A′) in the Taurus Molecular Cloud (TMC-1) via the Gas-phase Reaction of Tricarbon (C3) with the Propargyl Radical (C3H3) |
| title_full_unstemmed | Elucidating the Formation of Ethynylbutatrienylidene (HCCCHCCC; X1A′) in the Taurus Molecular Cloud (TMC-1) via the Gas-phase Reaction of Tricarbon (C3) with the Propargyl Radical (C3H3) |
| title_short | Elucidating the Formation of Ethynylbutatrienylidene (HCCCHCCC; X1A′) in the Taurus Molecular Cloud (TMC-1) via the Gas-phase Reaction of Tricarbon (C3) with the Propargyl Radical (C3H3) |
| title_sort | elucidating the formation of ethynylbutatrienylidene hccchccc x1a in the taurus molecular cloud tmc 1 via the gas phase reaction of tricarbon c3 with the propargyl radical c3h3 |
| topic | Astrochemistry Interstellar dust Laboratory astrophysics |
| url | https://doi.org/10.3847/2041-8213/acbf41 |
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