Direct Kinetic Study of Reactions of Hydroxyl Radicals with Alkyl Formates
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| 024 | 7 | 0 | |a 10.1524/zpch.218.4.479.29198 |2 doi |
| 035 | |a (NATIONALLICENCE)gruyter-10.1524/zpch.218.4.479.29198 | ||
| 245 | 0 | 0 | |a Direct Kinetic Study of Reactions of Hydroxyl Radicals with Alkyl Formates |h [Elektronische Daten] |c [István Szilágyi, Sándor Dóbé, Tibor Bérces, Ferenc Márta, Béla Viskolcz] |
| 520 | 3 | |a 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. | |
| 540 | |a © 2004 Oldenbourg Wissenschaftsverlag GmbH | ||
| 690 | 7 | |a Thermodynamics & statistical physics |2 nationallicence | |
| 690 | 7 | |a Laboratory techniques, experiments |2 nationallicence | |
| 690 | 7 | |a Physical chemistry |2 nationallicence | |
| 700 | 1 | |a Szilágyi |D István |4 aut | |
| 700 | 1 | |a Dóbé |D Sándor |4 aut | |
| 700 | 1 | |a Bérces |D Tibor |4 aut | |
| 700 | 1 | |a Márta |D Ferenc |4 aut | |
| 700 | 1 | |a Viskolcz |D Béla |4 aut | |
| 773 | 0 | |t Zeitschrift für Physikalische Chemie/International journal of research in physical chemistry and chemical physics |d Oldenbourg Wissenschaftsverlag GmbH |g 218/4/2004(2004-04-01), 479-492 |x 0942-9352 |q 218:4/2004<479 |1 2004 |2 218 |o zpch | |
| 856 | 4 | 0 | |u https://doi.org/10.1524/zpch.218.4.479.29198 |q text/html |z Onlinezugriff via DOI |
| 908 | |D 1 |a research article |2 jats | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1524/zpch.218.4.479.29198 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Szilágyi |D István |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Dóbé |D Sándor |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Bérces |D Tibor |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Márta |D Ferenc |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Viskolcz |D Béla |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Zeitschrift für Physikalische Chemie/International journal of research in physical chemistry and chemical physics |d Oldenbourg Wissenschaftsverlag GmbH |g 218/4/2004(2004-04-01), 479-492 |x 0942-9352 |q 218:4/2004<479 |1 2004 |2 218 |o zpch | ||
| 900 | 7 | |b CC0 |u http://creativecommons.org/publicdomain/zero/1.0 |2 nationallicence | |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-gruyter | ||