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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Methanol and glycolaldehyde production from formaldehyde in massive star-forming regions

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Silva, Silvia G. S. [1] ; Vichietti, Rafael M. [2] ; Haiduke, Roberto L. A. [3] ; Machado, Francisco B. C. [2] ; Spada, Rene F. K. [4]
Total Authors: 5
[1] Univ Fed Espirito Santo, Dept Fis, BR-29075910 Vitoria, ES - Brazil
[2] Inst Tecnol Aeronaut, Dept Quim, BR-12228900 Sao Jose Dos Campos, SP - Brazil
[3] Univ Sao Paulo, Inst Quim Sao Carlos, Dept Quim & Fis Mol, BR-13560970 Sao Carlos, SP - Brazil
[4] Inst Tecnol Aeronaut, Dept Fis, BR-12228900 Sao Jose Dos Campos, SP - Brazil
Total Affiliations: 4
Document type: Journal article
Source: Monthly Notices of the Royal Astronomical Society; v. 497, n. 4, p. 4486-4494, OCT 2020.
Web of Science Citations: 1

Based on typical physical and chemical conditions expected in massive and dense hot cores during the protostar collapse, the formation of glycolaldehyde (CH2OHCHO) and methanol (CH3OH) was investigated from H-2 and CO and formaldehyde (H2CO) as an intermediate. Thermochemical properties and rate constants were obtained for gas-phase reactions using highlevel electronic structure methods and chemical kinetic calculations, and the concentrations of the molecules were evolved along time. The chemical equilibrium was reached in minutes at 1500 K, a time interval much shorter than that required time for a protostar formation process. The results indicate that the formaldehyde and methanol abundances are always larger than those for glycolaldehyde, for example, at 2000 K and {[}H-2](0) equals to 10(23) molecule cm(-3), the abundances of H2CO, CH3OH, and CH2OHCHO relative to H-2 are equal to 3 x 10(-6), 5 x 10(-6), and 1 x 10(-12), while for {[}H-2](0) equals to 10(20) molecule cm(-3) these abundances are 3 x 10(-9), 5 x 10(-12), and 2 x 10(-21), respectively. Considering that our results can be applied to explain the proximity of methanol and formaldehyde maser emissions, from the whole set of results, the CH3OH abundance relative to H2CO ranges from 10(-3) to 10(2). (AU)

FAPESP's process: 14/23714-1 - Electronic structure relativistic calculations for evaluation of new prolapse-free basis sets
Grantee:Roberto Luiz Andrade Haiduke
Support type: Regular Research Grants
FAPESP's process: 19/07671-4 - Theoretical study of molecules in astrophysical environments
Grantee:Rene Felipe Keidel Spada
Support type: Regular Research Grants
FAPESP's process: 18/05691-5 - Application of quantum chemistry methods in the study of possible routes for formation of small molecular systems in different astrophysical environments
Grantee:Rafael Mario Vichietti
Support type: Scholarships in Brazil - Post-Doctorate