caa a22 4500 475762223 CHVBK 20180406123554.0 cr unu---uuuuu 170329e20001101xx s 000 0 eng 10.1007/BF02494916 doi (NATIONALLICENCE)springer-10.1007/BF02494916 Borisov Yu A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 117813, Moscow, Russian Federation aut Proton affinities of fluoro derivatives of benzene, toluene, and m -xylene from ab initio MP2 calculations [Elektronische Daten] [Yu. Borisov] The proton affinity (PA) energies of fluoro derivatives of benzene, toluene, andm-xylene were obtained fromab initio MP2-FC/6-31G* calculations and compared with experimental results. Protonated forms of the molecules, resulting from different ways of proton addition, were studied. Relative concentrations of isomeric arenonium ions were calculated and compared with the results of NMR studies on arenonium ions in solutions. Kluwer Academic/Plenum Publishers, 2000 ab initio quantum-chemical calculations nationallicence MP2 method nationallicence fluoro derivatives of benzene, toluene, and m -xylene nationallicence proton affinity nationallicence isomeric arenonium ions nationallicence relative concentrations of isomers nationallicence Russian Chemical Bulletin Kluwer Academic Publishers-Plenum Publishers 49/11(2000-11-01), 1820-1822 1066-5285 49:11<1820 2000 49 11172 https://doi.org/10.1007/BF02494916 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF02494916 text/html Onlinezugriff via DOI NATIONALLICENCE 100 1- Borisov Yu A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 ul. Vavilova, 117813, Moscow, Russian Federation aut NATIONALLICENCE 773 0- Russian Chemical Bulletin Kluwer Academic Publishers-Plenum Publishers 49/11(2000-11-01), 1820-1822 1066-5285 49:11<1820 2000 49 11172 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer