RT Journal Article
T1 Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature
A1 Siebrand, Willem
A1 Smedarchina, Zorka
A1 Martínez Núñez, Emilio
A1 Fernández Ramos, Antonio
AB The kinetics of the reaction of methanol with hydroxyl radicals is revisited in light of the reported new kinetic data, measured in cold expansion beams. The rate constants exhibit an approximately 102-fold increase when the temperature decreases from 200 to 50 K, a result that cannot be fully explained by tunneling, as we confirm by new calculations. These calculations also show that methanol dimers are much more reactive to hydroxyl than monomers and imply that a dimer concentration of about 30% of the equilibrium concentration can account quantitatively for the observed rates. The assumed presence of dimers is supported by the observation of cluster formation in these and other cold beams of molecules subject to hydrogen bonding. The calculations imply an important caveat with respect to the use of cold expansion beams for the study of interstellar chemistry
PB Royal Society of Chemistry
SN 1463-9076
YR 2016
FD 2016-07-22
LK http://hdl.handle.net/10347/16910
UL http://hdl.handle.net/10347/16910
LA eng
NO Siebrand, W., Smedarchina, Z., Martínez-Núñez, E., & Fernández-Ramos, A. (2016). Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature. Physical Chemistry Chemical Physics, 18(32), 22712-22718. doi: 10.1039/c6cp04173f
NO A. F. R. and E. M. N. acknowledge funding from Ministerio de Economia y Competitividad of Spain (Research Grant No CTQ2014-58617-R). E. M. N. acknowledges financial support from Xunta de Galicia (Research Grant No GRC2014/032)
DS Minerva
RD 24 abr 2026