caa a22 4500 37891359X CHVBK 20180305123547.0 cr unu---uuuuu 161128e20040401xx s 000 0 eng 10.1524/zpch.218.4.479.29198 doi (NATIONALLICENCE)gruyter-10.1524/zpch.218.4.479.29198 Direct Kinetic Study of Reactions of Hydroxyl Radicals with Alkyl Formates [Elektronische Daten] [István Szilágyi, Sándor Dóbé, Tibor Bérces, Ferenc Márta, Béla Viskolcz] Rate coefficients were determined for the gas phase reactions of hydroxyl radicals with a series of alkyl formats. Experiments were carried out using the isothermal fast flow method coupled with resonance fluorescence detection. The obtained room temperature rate coefficients are (in 10−13cm3 molecule−1s−1 units): 1.83 ± 0.33 (methyl formate), 9.65 ± 0.43 (ethyl formate), 18.73 ± 0.83 (isopropyl formate), 6.77 ± 0.38 (tert-butyl formate) and 1.62 ± 0.13 (methyl chloroformate). These results are compared with the literature data. In addition estimations are made for the partial reactivities of the formate group and for the hydrocarbon groups adjacent to HC(O)O. Moreover, it has been found that the partial reactivity of the HC(O)O group (in reactions of OH with formates) is two orders of magnitude smaller than that of the HC(O) group (in reactions of OH with aldehydes). This has been explained using the results of ab initio calculations at the G3MP2//MP2(full)/6-31G(d) level of theory. © 2004 Oldenbourg Wissenschaftsverlag GmbH Thermodynamics & statistical physics nationallicence Laboratory techniques, experiments nationallicence Physical chemistry nationallicence Szilágyi István aut Dóbé Sándor aut Bérces Tibor aut Márta Ferenc aut Viskolcz Béla aut Zeitschrift für Physikalische Chemie/International journal of research in physical chemistry and chemical physics Oldenbourg Wissenschaftsverlag GmbH 218/4/2004(2004-04-01), 479-492 0942-9352 218:4/2004<479 2004 218 zpch https://doi.org/10.1524/zpch.218.4.479.29198 text/html Onlinezugriff via DOI 1 research article jats NATIONALLICENCE 856 40 https://doi.org/10.1524/zpch.218.4.479.29198 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Szilágyi István aut NATIONALLICENCE 700 1- Dóbé Sándor aut NATIONALLICENCE 700 1- Bérces Tibor aut NATIONALLICENCE 700 1- Márta Ferenc aut NATIONALLICENCE 700 1- Viskolcz Béla aut NATIONALLICENCE 773 0- Zeitschrift für Physikalische Chemie/International journal of research in physical chemistry and chemical physics Oldenbourg Wissenschaftsverlag GmbH 218/4/2004(2004-04-01), 479-492 0942-9352 218:4/2004<479 2004 218 zpch CC0 http://creativecommons.org/publicdomain/zero/1.0 nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-gruyter