A GAS-PHASE FORMATION ROUTE TO INTERSTELLAR TRANS-METHYL FORMATE
Journal Article
·
· Astrophysical Journal Letters
- Department of Chemistry and Biochemistry, 215 UCB, University of Colorado, Boulder, CO 80309-0215 (United States)
The abundance of methyl formate in the interstellar medium has previously been underpredicted by chemical models. Additionally, grain surface chemistry cannot account for the relative abundance of the cis- and trans-conformers of methyl formate, and the trans-conformer is not even formed at detectable abundance on these surfaces. This highlights the importance of studying formation pathways to methyl formate in the gas phase. The rate constant and branching fractions are reported for the gas-phase reaction between protonated methanol and formic acid to form protonated trans-methyl formate and water as well as adduct ion: Rate constants were experimentally determined using a flowing afterglow-selected ion flow tube apparatus at 300 K and a pressure of 530 mTorr helium. The results indicate a moderate overall rate constant of (3.19 {+-} 0.39) Multiplication-Sign 10{sup -10} cm{sup 3} s{sup -1} ({+-} 1{sigma}) and an average branching fraction of 0.05 {+-} 0.04 for protonated trans-methyl formate and 0.95 {+-} 0.04 for the adduct ion. These experimental results are reinforced by ab initio calculations at the MP2(full)/aug-cc-pVTZ level of theory to examine the reaction coordinate and complement previous density functional theory calculations. This study underscores the need for continued observational studies of trans-methyl formate and for the exploration of other gas-phase formation routes to complex organic molecules.
- OSTI ID:
- 22047671
- Journal Information:
- Astrophysical Journal Letters, Journal Name: Astrophysical Journal Letters Journal Issue: 1 Vol. 754; ISSN 2041-8205
- Country of Publication:
- United States
- Language:
- English
Similar Records
Isomers and conformational barriers of gas phase nicotine, nornicotine and their protonated forms
Conformational Study of the Alanine Dipeptide at the MP2 and DFT Levels
Dual-level reaction-path dynamics (the III approach to VTST with semiclassical tunneling). Application to OH + NH[sub 3] [yields] H[sub 2]O + NH[sub 2]
Journal Article
·
Thu Jul 17 00:00:00 EDT 2014
· Journal of Physical Chemistry B, 118(28):8273-8285
·
OSTI ID:1163818
Conformational Study of the Alanine Dipeptide at the MP2 and DFT Levels
Journal Article
·
Wed Apr 03 23:00:00 EST 2002
· Journal of Physical Chemistry A, 106(13):3213-3218
·
OSTI ID:15010115
Dual-level reaction-path dynamics (the III approach to VTST with semiclassical tunneling). Application to OH + NH[sub 3] [yields] H[sub 2]O + NH[sub 2]
Journal Article
·
Wed Jan 11 23:00:00 EST 1995
· Journal of Physical Chemistry; (United States)
·
OSTI ID:6582737