O2(X3Σg−) and O2(a1Δg) charge exchange with simple ions
作者： Marcin Ziółkowski , George C. Schatz , A. A. Viggiano , Anthony Midey , Itzhak Dotan
DOI: 10.1063/1.4879805
关键词:
摘要: We present theory and experiments which describe charge transfer from the X3Σg− a1Δg states of molecular oxygen atomic cations. Included in this work are new experimental results for O2(a1Δg) cations O+, CO+, Ar+, N2+, based on complete active space self-consistent field method calculations an extended Langevin model to calculate rate constants ground excited O2 reacting with ions Kr+, Xe+, Cl+, Br+. The T-shaped orientation (X − O2)+ potential surface is used calculations, including all low lying up second singlet state molecule b1Σg+. calculated both O2(X3Σg−) show consistent trends results, a significant dependence constant exothermicity that does not depend strongly nature cation. comparisons partners exothermicities about 1 eV have stronge...
scitation.org
harvard.edu
elsevier.com
osti.gov
aip.org
sci-hub.se 参考文章(30)
Itzhak Dotan, A.A. Viggiano, Anthony J. Midey, Reactions of POxCly− ions with O2(a 1Δg), H2O, and Cl2 at 298K International Journal of Mass Spectrometry. ,vol. 273, pp. 7- 10 ,(2008) , 10.1016/J.IJMS.2008.02.005
Nicole Eyet, Raymond J. Bemish, A. A. Viggiano, John M. C. Plane, Mesospheric implications for the reaction of Si+ with O2(a1Δg) Geophysical Research Letters. ,vol. 37, ,(2010) , 10.1029/2010GL044837
Bo Gao, Quantum Langevin model for exoergic ion-molecule reactions and inelastic processes Physical Review A. ,vol. 83, pp. 062712- ,(2011) , 10.1103/PHYSREVA.83.062712
Anthony Midey, Itzhak Dotan, A. A. Viggiano, Temperature Dependences for the Reactions of O- and O2- with O2(a1Δg) from 200 to 700 K Journal of Physical Chemistry A. ,vol. 112, pp. 3040- 3045 ,(2008) , 10.1021/JP710539S
Kirk A. Peterson, Detlev Figgen, Erich Goll, Hermann Stoll, Michael Dolg, Systematically convergent basis sets with relativistic pseudopotentials. II. Small-core pseudopotentials and correlation consistent basis sets for the post-d group 16–18 elements The Journal of Chemical Physics. ,vol. 119, pp. 11113- 11123 ,(2003) , 10.1063/1.1622924
I. Dotan, A.A. Viggiano, Temperature, kinetic energy, and rotational temperature dependences for the reactions of Ar+ (2Psol32 with O2 and CO Chemical Physics Letters. ,vol. 209, pp. 67- 71 ,(1993) , 10.1016/0009-2614(93)87203-F
Angela K. Wilson, David E. Woon, Kirk A. Peterson, Thom H. Dunning, Gaussian basis sets for use in correlated molecular calculations. IX. The atoms gallium through krypton The Journal of Chemical Physics. ,vol. 110, pp. 7667- 7676 ,(1999) , 10.1063/1.478678
Donald Rapp, W. E. Francis, Charge Exchange between Gaseous Ions and Atoms The Journal of Chemical Physics. ,vol. 37, pp. 2631- 2645 ,(1962) , 10.1063/1.1733066
E.E. Ferguson, Jane M. Van Dorenai, A.A. Viggiano, Robert A. Morris, John F. Paulson, J.D. Stewart, L.S. Sunderlin, P.B. Armentrout, Internal and translational energy effects on the charge- transfer reaction of CO+2 with O2 International Journal of Mass Spectrometry and Ion Processes. ,vol. 117, pp. 261- 282 ,(1992) , 10.1016/0168-1176(92)80098-L
Bo Gao, Universal Model for Exoergic Bimolecular Reactions and Inelastic Processes Physical Review Letters. ,vol. 105, pp. 263203- ,(2010) , 10.1103/PHYSREVLETT.105.263203