| dc.creator | Morgon, NH | |
| dc.creator | Linnert, HV | |
| dc.creator | deSouza, LAG | |
| dc.creator | Riveros, JM | |
| dc.date | 1997 | |
| dc.date | SEP 5 | |
| dc.date | 2014-12-16T11:33:43Z | |
| dc.date | 2015-11-26T17:00:24Z | |
| dc.date | 2014-12-16T11:33:43Z | |
| dc.date | 2015-11-26T17:00:24Z | |
| dc.date.accessioned | 2018-03-28T23:48:11Z | |
| dc.date.available | 2018-03-28T23:48:11Z | |
| dc.identifier | Chemical Physics Letters. Elsevier Science Bv, v. 275, n. 41795, n. 457, n. 462, 1997. | |
| dc.identifier | 0009-2614 | |
| dc.identifier | WOS:A1997XV88800004 | |
| dc.identifier | 10.1016/S0009-2614(97)00782-3 | |
| dc.identifier | http://www.repositorio.unicamp.br/jspui/handle/REPOSIP/67794 | |
| dc.identifier | http://www.repositorio.unicamp.br/handle/REPOSIP/67794 | |
| dc.identifier | http://repositorio.unicamp.br/jspui/handle/REPOSIP/67794 | |
| dc.identifier.uri | http://repositorioslatinoamericanos.uchile.cl/handle/2250/1278464 | |
| dc.description | The gas-phase ion-molecule reactions of simple anions (HO-, CH3O-, NH2-) with SO2F2 proceed with rate constants close to the collision limit. The energy surface for the OH-/SO2F2 reaction has been characterized by ab initio calculations using basis functions adapted for a pseudopotential and corrected for anionic systems by the generator coordinate method (GCM) at the QCISD(T)/(ECP/TZV/GCM) level. The calculations indicate that reaction occurs by initial addition of the anion to SO2F2 to form a hypervalent sulfur species. The high efficiency of the reaction is associated with a low energy barrier separating the initial adduct from the product side ion-neutral complex. (C) 1997 Elsevier Science B.V. | |
| dc.description | 275 | |
| dc.description | 41795 | |
| dc.description | 457 | |
| dc.description | 462 | |
| dc.language | en | |
| dc.publisher | Elsevier Science Bv | |
| dc.publisher | Amsterdam | |
| dc.publisher | Holanda | |
| dc.relation | Chemical Physics Letters | |
| dc.relation | Chem. Phys. Lett. | |
| dc.rights | fechado | |
| dc.rights | http://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy | |
| dc.source | Web of Science | |
| dc.subject | Compact Effective Potentials | |
| dc.subject | Exponent Basis-sets | |
| dc.subject | Optimization Technique | |
| dc.subject | Addition-elimination | |
| dc.subject | Ions | |
| dc.subject | Fluoride | |
| dc.subject | Sulfur | |
| dc.subject | Atoms | |
| dc.subject | Thermochemistry | |
| dc.subject | Substitution | |
| dc.title | Gas-phase nucleophilic reactions in SO2F2: experiment and theory | |
| dc.type | Artículos de revistas | |
