Dissociative recombination of NO+: calculations and comparison with experiment

Multichannel quantum defect calculations for NO + dissociative recombination (DR) for electron energies from threshold to 8 eV are presented. The calculations use electronic energies and autoionization widths of valence states obtained from ab initio R-matrix calculations with the corresponding potential curves calibrated using available spectroscopic data. Six valence states open to dissociation are included in the final calculations. Excellent agreement with the measured cross sections is obtained for the low-energy DR, up to 3 eV and, for the first time, the peak observed in the cross section at high energy is accounted for. The importance of the various dissociative states at different electron energies, as well as the direct and indirect processes, is discussed. Compared to previous theoretical studies, the inclusion of a third dissociative state of 2 � symmetry and the larger autoionization width of the B� 2� state are found to be particularly important for the agreement with experiment. (Some figures in this article are in colour only in the electronic version; see www.iop.org)

[1]  A. Orel,et al.  Dissociative recombination of H3+: progress in theory , 2000, Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences.

[2]  L. Pichl,et al.  Analytical treatment of singular equations in dissociative recombination , 2000 .

[3]  M. Larsson,et al.  Proceedings of the 1999 conference on dissociative recombination : theory, experiment, and applications IV, Stockholm, Sweden, 16-20 June 1999 , 2000 .

[4]  G. Gautier,et al.  THE DISSOCIATIVE RECOMBINATION OF NO+ : THE INFLUENCE OF THE VIBRATIONAL EXCITATION STATE , 1999 .

[5]  L. H. Andersen,et al.  Dissociative recombination of NO , 1998 .

[6]  M. Larsson,et al.  Rotational effects in low energy dissociative recombination of diatomic ions , 1998 .

[7]  G. Fredrickson,et al.  Stabilizing co-continuous polymer blend morphologies with ABC block copolymers , 1998 .

[8]  I. Rabadan,et al.  訂正 NOのRydberg状態と連続状態に対する非経験的なポテンシャルエネルギー曲線 1997 J.Phys.B:At.Mol.Opt.Phys.301975‐88 , 1998 .

[9]  M. Larsson,et al.  Rotational effects in dissociative recombination: theoretical study of resonant mechanisms and comparison with ion storage ring experiments , 1997 .

[10]  J. Tennyson,et al.  CORRIGENDUM: Ab initio potential energy curves of Rydberg, valence and continuum states of NO , 1997 .

[11]  L. H. Andersen,et al.  Dissociative-recombination and excitation measurements with H2+ and HD+ , 1997 .

[12]  J. Tennyson R-matrix calculation of Rydberg states of CO , 1996 .

[13]  J. Tennyson,et al.  R-matrix calculation of the bound and continuum states of the - system , 1996 .

[14]  L. H. Andersen,et al.  Dissociative recombination for vibrationally excited ions: the effect of laser photodissociation on the initial vibrational distribution , 1996 .

[15]  J. Mitchell,et al.  Dissociative Recombination: Theory, Experiment and Applications III: Proceedings of the 1995 Workshop , 1996 .

[16]  Sundström,et al.  Absolute cross sections for dissociative recombination of HD+: Comparison of experiment and theory. , 1995, Physical review. A, Atomic, molecular, and optical physics.

[17]  Honma,et al.  Dissociative recombination of HD+ with an ultracold electron beam in a cooler ring. , 1995, Physical review letters.

[18]  Guberman Dissociative recombination without a curve crossing. , 1994, Physical review. A, Atomic, molecular, and optical physics.

[19]  H. Takagi Rotational effects in the dissociative recombination process of H2++e , 1993 .

[20]  P. Španěl,et al.  FALP studies of the dissociative recombination coefficients for O2+ and NO+ within the electron temperature range 300–2000 K , 1993 .

[21]  Sundström,et al.  Direct high-energy neutral-channel dissociative recombination of cold H3+ in an ion storage ring. , 1993, Physical review letters.

[22]  Wolf,et al.  Dissociative recombination of cold HD+ at the Test Storage Ring. , 1993, Physical review letters.

[23]  J. Mitchell,et al.  Dissociative Recombination : Theory, Experiment, and Applications , 1993 .

[24]  L. G.-Tóth,et al.  Measurement of post-collision interaction effects for p on Ne collisions , 1991 .

[25]  S. Guberman,et al.  The generation of O(1S) from the dissociative recombination of O2( , 1991 .

[26]  O. Dulieu,et al.  The role of Rydberg states in H+2 dissociative recombination with slow electrons , 1991 .

[27]  Hiroki Nakamura,et al.  Theoretical study of the dissociative recombination of NO+ with slow electrons , 1990 .

[28]  Hiroki Nakamura,et al.  Autoionization mechanism of the NO molecule: Calculation of quantum defect and theoretical analysis of multiphoton ionization experiment , 1989 .

[29]  Johnsen,et al.  Electron-temperature dependence of the recombination of electrons with O4+ ions. , 1987, Physical review. A, General physics.

[30]  M. Raoult A unified treatment of 2Π–2Π Rydberg–valence state interactions in NO , 1987 .

[31]  Robert W. Field,et al.  Perturbations in the Spectra of Diatomic Molecules , 1986 .

[32]  J. Bardsley,et al.  Dissociative recombination in low-energy e-H/sub 2//sup +/ collisions , 1983 .

[33]  M. Seaton,et al.  Quantum defect theory , 1983, Molecular Applications of Quantum Defect Theory.

[34]  K. Dressler,et al.  On highly excited electronic states of the NO molecule reached by multiphoton spectroscopy , 1981 .

[35]  A. Giusti A multichannel quantum defect approach to dissociative recombination , 1980 .

[36]  J. Bardsley Dissociative recombination of electrons with NO+ ions , 1983 .

[37]  P. Mul,et al.  Merged electron-ion beam experiments. III. Temperature dependence of dissociative recombination for atmospheric ions NO+, O2+ and N2+ , 1979 .

[38]  C. M. Lee Multichannel dissociative recombination theory , 1977 .

[39]  O. Atabek,et al.  Rovibronic interactions in the photoabsorption spectrum of molecular hydrogen and deuterium: An application of multichannel quantum defect methods , 1977 .

[40]  G. Dunn,et al.  Measurement of total cross sections for electron recombination with NO+ and O2 + using ion storage techniques , 1974 .

[41]  J. Bardsley Configuration interaction in the continuum states of molecules , 1968 .

[42]  J. Bardsley The theory of dissociative recombination , 1968 .