Negative ions of p-nitroaniline: Photodetachment, collisions, and ab initio calculations

Journal of Chemical Physics

Volumn 138, Issue 23, 2013, Pages

  Smith, Byron H ^a   Buonaugurio, Angela ^b   Chen, Jing ^b   Collins, Evan ^b   Bowen, Kit H ^b   Compton, Robert N ^a   Sommerfeld, Thomas ^c  

^a UNIVERSITY OF TENNESSEE   (United States)

^b JOHNS HOPKINS UNIVERSITY   (United States)

^c SOUTHEASTERN LOUISIANA UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; ACTIVATION BARRIERS; ADIABATIC ELECTRON AFFINITY; COLLISION INDUCED DISSOCIATION; PHOTODETACHMENT SPECTRUM; PHOTODETACHMENT THRESHOLDS; REARRANGEMENT REACTIONS; VERTICAL DETACHMENT ENERGIES;

ACETONE; ANILINE; DISSOCIATION; MOLECULES; NITROGEN COMPOUNDS; PHOTOELECTRON SPECTROSCOPY;

NEGATIVE IONS;

EID: 84886313170     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4810869     Document Type: Article

References (61)

1. A. M. Moran, A. M. Kelley, and S. Tretiak, Chem. Phys. Lett. 367, 293 (2003).
2. H. S. Nalwa, M. Hanack, G. Pawlowski, and M. K. Engel, Chem. Phys. 245, 17 (1999).
3. L-T. Cheng, W. Tam, S. H. Stevenson, G. R. Meredith, G. Rikken, and S. R. Marder, J. Phys. Chem. 95, 10631 (1991).
4. H. Soscún, O. Castellano, Y. Bermúdez, C. Toro, N. Cubillán, A. Hinchliffe, and X. N. Phu, Int. J. Quantum Chem. 106, 1130 (2006).
5. A. Kawski, B. Kuklinski, and P. Bojarski, Chem. Phys. 330, 307 (2006).
6. A. Hadjiantoniou, L. G. Christophorou, and J. G. Carter, J. Chem. Soc, Faraday Trans. 2 69, 1691 (1973).
7. C. Huh, C. H. Kang, H. W. Lee, H. Nakamura, M. Mishima, Y. Tsuno, and H. Yamataka, Bull. Chem. Soc. Jpn. 72, 1083 (1999).
8. S. Chowdhury, H. Kishi, G. W. Dillow, and P. Kebarle, Can. J. Chem. 67, 603 (1989).
9. V. K. Potapov, I. E. Kardash, V. V. Sorokin, S. A. Sokolov, and T. I. Evlasheva, Khim. Vys. Energ. 6, 392 (1972).
10. P. Brown, Org. Mass Spectrom. 4(suppl.), 533 (1970).
11. J. H. Bowie, T. Blumenthal, and I. Walsh, Org. Mass Spectrom. 5, 777 (1971).
12. B. Gierczyk, J. Grajewski, and M. Zalas, Rapid Commun. Mass Spectrom. 20, 361 (2006).
13. D. M. Neumark, K. R. Lykke, T. Andersen, and W. C. Lineberger, Phys. Rev. A 32, 1890 (1985).
14. J. V. Coe, J. T. Snodgrass, C. B. Freidhoff, K. M. McHugh, and K. H. Bowen, J. Chem. Phys. 84, 618 (1986).
15. K. Do, T.P. Klein, C.A. Pommerening, and L. S. Sunderlin, J. Am. Soc. Mass Spectrom. 8, 688 (1997).
16. A. A. Hoops, J. R. Gascooke, A. E. Faulhaber, K. E. Kautzman, and D. M. Neumark, J. Chem. Phys. 120, 7901 (2004).
17. R. M. Lynden-Bell, R. Kosloff, S. Ruhman, D. Danovich, and J. Vala, J. Chem. Phys. 109, 9928 (1998).
18. F. A. Khan, D. E. Clemmer, R. H. Schultz, and P. B. Armentrout, J. Phys. Chem. 97, 7978 (1993).
19. F Muntean and P. B. Armentrout, J. Chem. Phys. 115, 1213 (2001).
20. J. C. Amicangelo and P. B. Armentrout, Int. J. Mass Spectrom. 212, 301 (2001).
21. P. B. Armentrout, K. M. Ervin, and M. T. Rodgers, J. Phys. Chem. A 112, 10071 (2008).
22. N. F. Dalleska, K. Honma, L.S. Sunderlin, and P. B. Armentrout, J. Am. Chem. Soc. 116, 3519 (1994).
23. M. T. Rodgers, K. M. Ervin, and P. B. Armentrout, J. Chem. Phys. 106, 4499 (1997).
24. T. Beyer and D. F. Swinehart, Commun. ACM 16, 379 (1973).
25. S. J. Nalley, R. N. Compton, H. C. Schweinler, and V. E. Anderson, J. Chem. Phys. 59, 4125 (1973).
26. S. Narancic, A. Bach, and P. Chen, J. Phys. Chem. A 111, 7006 (2007).
27. J. Tao, J. P. Perdew, V. N. Staroverov, and G. E. Scuseria, Phys. Rev. Lett. 91, 146401 (2003).
28. F Weigend and R. Ahlrichs, Phys. Chem. Chem. Phys. 7, 3297 (2005).
29. E. Papajak and D. G. Truhlar, J. Chem. Theory. Comput. 6, 597 (2010).
30. T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
31. R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys, 96, 6796 (1992).
32. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., GAUSSIAN 09, Revision B.01, Guassian, Inc., Wallingford, CT, 2009; GAUSSIAN 03, Revision 6.0, Gaussian, Inc., Wallingford, CT, 2003.
33. F. Neese, with contributions from U. Becker, D. Ganiouchine, S. Koßmann, T. Petrenko, C. Riplinger and F. Wennmohs, ORCA, version 2.8.0, 2010; an updated version is available at http://www.mpibac.mpg.de/bac/logins/ neese/description.php.
34. J. F. Stanton, J. Gauss, M. E. Harding, P. G. Szalay, with contributions from A. A. Auer, R.J. Bartlett, U. Benedikt, C. Berger, D.E. Bernholdt, Y.J. Bomble, L. Cheng, O. Christiansen, M. Heckert, O. Heun, C. Huber, T.-C. Jagau, D. Jonsson, J. Jusélius, K. Klein, W.J. Lauderdale, D.A. Matthews, T. Metzroth, L. A. Mück, D. P. O'Neill, D.R. Price, E. Prochnow, C. Puzzarini, K. Ruud, F. Schiffmann, W. Schwalbach, S. Stopkowicz, A. Tajti, J. Vázquez, F. Wang, J. D. Watts and the integral packages MOLECULE (J. Almlöf and P. R. Taylor), PROPS (P. R. Taylor), ABACUS (T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and J. Olsen), and ECP routines by A. V. Mitin and C. van Wüllen, CFOUR version 1, 2010. For the current version, see http://www.cfour.de.
35. N. I. Hammer, K. Diri, K. D. Jordan, C. Defrançois, and R. N. Compton, J. Chem. Phys. 119, 3650 (2003).
36. K. M. Ervin and P. B. Armentrout, J. Chem. Phys. 83, 166 (1985).
37. M. E. Weber, J. L. Elkind, and P. B. Armentrout, J. Chem. Phys. 84, 1521 (1986).
38. R. H. Schultz, K. C. Crellin, and P. B. Armentrout, J. Am. Chem. Soc. 113, 8590 (1991).
39. A. A. Shvartsburg, K. M. Ervin, and J. H. Frederick, J. Chem. Phys. 104, 8458 (1996).
40. V. F. DeTuri and K. M. Ervin, J. Phys. Chem. A 103, 6911 (1999).
41. C. Iceman and P. B. Armentrout, Int. J. Mass Spectrom. 222, 329 (2003).
42. T. Su, J. Chem. Phys. 100, 4703 (1994).
43. K. M. Ervin, Int. J. Mass Spectrom. 185, 343 (1999).
44. H. Koizumi and P. B. Armentrout, J. Chem. Phys. 119, 12819 (2003).
45. H. Koizumi, F. Muntean, and P. B. Armentrout, J. Chem. Phys. 120, 756 (2004).
46. J. C. Amicangelo and P. B. Armentrout, J. Phys. Chem. A 108, 10698 (2004).
47. P. B. Armentrout, J. Chem. Phys. 126, 234302 (2007).
48. J. Lambert, J. Chen, A. Buonaugurio, K. H. Bowen, C.-L. Do-Thanh, Y. Wang, M.D. Best, R.N. Compton, and T. Sommerfeld, "Combined photo-electron, collision-induced dissociation, and computational studies of parent and fragment anions of N-paranitrosulfophenylsufonyalanine and N- paranitrophenylalanine," J. Chem. Phys. (unpublished).
49. S. T. Stokes, K. H. Bowen, T. Sommerfeld, S. Ard, N. Mirsaleh-Kohan, J. D. Steill, and R. N. Compton, J. Chem. Phys. 129, 064308 (2008).
50. R. N. Compton, H. S. Carman, Jr., C. Defrancois, J.H. Hendricks, S.A. Lyapustina, and K. H. Bowen, J. Chem. Phys. 105, 3472 (1996).
51. C. Desfrancois, V. Périquet, S. A. Lyapustina, T. P. Lippa, D. W. Robinson, K. H. Bowen, H. Nonaka, and R. N. Compton, J. Chem. Phys. 111, 4569 (1999).
52. N. I. Hammer, R. J. Hinde, R. N. Compton, K. Diri, K. D. Jordan, D. Radisic, S. T. Stokes, and K. H. Bowen, J. Chem. Phys, 120, 685 (2004).
53. G. L. Gutsev and L. Adamowicz, Chem. Phys. Lett. 235, 377 (1995).
54. R. D. Nelson, Jr., D.R. Lide, Jr., and A. A. Maryott, Selected Values of Electric Dipole Moments for Molecules in the Gas Phase, NSRDS-NBS, Vol. 10 (US GPO, Washington, 1967).
55. D. R. Lide, ed., CRC Handbook of Chemistry and Physics (CRC Press, Boca Raton, 1994).
56. C. Desfrançois, H. Abdoul-Carime, N. Khelifa, and J. P. Schermann, Phys. Rev. Lett. 73, 2436 (1994).
57. A. S. Mullins, K. K. Murray, C. P. Schultz, and W. C. Lineberger, J. Phys. Chem. 97, 10281 (1995).
58. E. A. Brinkman, S. Berger, J. Marks, and J. I. Brauman, J. Chem. Phys. 99, 7586 (1993).
59. M. Gutowski, P. Skurski, and J. Simons, Int. J. Mass Spectrom. 201, 245 (2000).
60. J. Simons, J. Am. Chem. Soc. 132, 7074-7085 (2010).
61. D. Neff and J. Simons, J. Phys. Chem. A 114, 1309-1323 (2010).