Collect. Czech. Chem. Commun. 2009, 74, 101-114
https://doi.org/10.1135/cccc2008166
Published online 2009-01-28 10:22:02

First and second ionization energies of 1,3,5-trimethylbenzene and 2,4,6-trimethylpyridine

Petr Milkoa, Detlef Schrödera, Karel Lemrb, Ján Žabkac, Christian Alcarazd,e and Jana Roithováa,f,*

a Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, v.v.i., Flemingovo nám. 2, 166 10 Prague 6, Czech Republic
b Department of Analytical Chemistry, Palacký University, Svobody 8, 771 46 Olomouc, Czech Republic
c J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i., Dolejškova 3, 183 00 Prague 8, Czech Republic
d Laboratoire de Chimie Physique, Bat. 350, UMR 8000 Centre Universitaire Paris-Sud, 91405 Orsay Cedex, France
e Synchrotron SOLEIL, L’orme des Merisiers, Saint-Aubin – BP 48, 91192 Gif-sur-Yvette Cedex, France
f Department of Organic Chemistry, Faculty of Science, Charles University, Hlavova 8, 128 40 Prague 2, Czech Republic

References

1. Held A., Schlag E. W.: Acc. Chem. Res. 1998, 31, 467. <https://doi.org/10.1021/ar9702987>
2. Berkowitz J., Ellison G. B., Gutman D.: J. Phys. Chem. 1994, 98, 2744. <https://doi.org/10.1021/j100062a009>
3. Blanksby S. J., Ellison G. B.: Acc. Chem. Res. 2003, 36, 255. <https://doi.org/10.1021/ar020230d>
4. Armentrout P. B.: Top. Curr. Chem. 2003, 225, 233. <https://doi.org/10.1007/3-540-36113-8_7>
5. Bouchoux G., Salpin J. Y., Leblanc D.: Int. J. Mass Spectrom. Ion Processes 1996, 153, 37. <https://doi.org/10.1016/0168-1176(95)04353-5>
6. Brown J. R., Schwerdtfeger P., Schröder D., Schwarz H.: J. Am. Soc. Mass Spectrom. 2002, 13, 485. <https://doi.org/10.1016/S1044-0305(02)00370-7>
7. Wong P. S. H., Cooks R. G.: Acc. Chem. Res. 1998, 31, 379.
8. Schröder D., Schwarz H.: J. Organomet. Chem. 1995, 504, 123. <https://doi.org/10.1016/0022-328X(95)05610-2>
9. Ervin K. M.: Chem. Rev. 2001, 101, 391. <https://doi.org/10.1021/cr990081l>
10. Curtiss L. A., Raghavachari K., Redfern P. C., Rassolov V., Pople J. A.: J. Chem. Phys. 1998, 108, 7764. <https://doi.org/10.1063/1.477422>
11. Roithová J., Schröder D.: J. Am. Chem. Soc. 2006, 128, 4208. <https://doi.org/10.1021/ja0600429>
12. Roithová J., Žabka J., Ascenzi D., Franceschi P., Ricketts C. L., Schröder D.: Chem. Phys. Lett. 2006, 423, 254. <https://doi.org/10.1016/j.cplett.2006.03.083>
13. Ricketts C. L., Schroder D., Alcaraz C., Roithová J.: Chem. Eur. J. 2008, 14, 4779. <https://doi.org/10.1002/chem.200800524>
14. Dutuit O. in: Fundamentals of Gas Phase Ion Chemistry (K. R. Jennings, Ed.), p. 21. Kluwer Academic, Dordrecht 1991.
15. Alcaraz C., Nicolas C., Thissen R., Žabka J., Dutuit O.: J. Phys. Chem. A 2004, 108, 9998. <https://doi.org/10.1021/jp0477755>
16. Roithová J., Schröder D., Schwarz H.: Chem. Eur. J. 2005, 11, 627. <https://doi.org/10.1002/chem.200400738>
17. Roithová J., Schröder D.: Phys. Chem. Chem. Phys. 2007, 9, 731. <https://doi.org/10.1039/b615648g>
18. Baboul A. G., Curtiss L. A., Redfern P. C., Raghavachari K.: J. Chem. Phys. 1999, 110, 7650. <https://doi.org/10.1063/1.478676>
19. Frisch M. J., Trucks G. W., Schlegel H. B., Scuseria G. E., Robb M. A., Cheeseman J. R., Montgomery, Jr. J. A., Vreven T., Kudin K. N., Burant J. C., Millam J. M., Iyengar S. S., Tomasi J., Barone V., Mennucci B., Cossi M., Scalmani G., Rega N., Petersson G. A., Nakatsuji H., Hada M., Ehara M., Toyota K., Fukuda R., Hasegawa J., Ishida M., Nakajima T., Honda Y., Kitao O., Nakai H., Klene M., Li X., Knox J. E., Hratchian H. P., Cross J. B., Bakken V., Adamo C., Jaramillo J., Gomperts R., Stratmann, R. E., Yazyev, O., Austin, A. J., Cammi, R., Pomelli, C., Ochterski, J. W., Ayala, P. Y., Morokuma K., Voth G. A., Salvador P., Dannenberg J. J., Zakrzewski V. G., Dapprich S., Daniels A. D., Strain M. C., Farkas O., Malick D. K., Rabuck A. D., Raghavachari K., Foresman J. B., Ortiz J. V., Cui Q., Baboul A. G., Clifford S., Cioslowski J., Stefanov B. B., Liu G., Liashenko A., Piskorz P., Komaromi I., Martin R. L., Fox D. J., Keith T., Al-Laham M. A., Peng C. Y., Nanayakkara A., Challacombe M., Gill P. M. W., Johnson B., Chen W., Wong M. W., Gonzalez C., Pople J. A: Gaussian 03, Revision C.02. Gaussian, Inc., Wallingford, CT 2004.
20. Vosko S. H., Wilk L., Nusair M.: Can. J. Phys. 1980, 58, 1200. <https://doi.org/10.1139/p80-159>
21. Lee C., Yang W., Parr R. G.: Phys. Rev. B 1988, 37, 785. <https://doi.org/10.1103/PhysRevB.37.785>
22. Miehlich B., Savin A., Stoll H., Preuss H.: Chem. Phys. Lett. 1989, 157, 200. <https://doi.org/10.1016/0009-2614(89)87234-3>
23. Wannier G. H.: Phys. Rev. 1953, 90, 817. <https://doi.org/10.1103/PhysRev.90.817>
24. Wannier G. H.: Phys. Rev. 1955, 100, 1180. <https://doi.org/10.1103/PhysRev.100.1180>
25. Linstrom P. J., Mallard W. G. (Eds): NIST Chemistry WebBook, NIST Standard Reference Database Number 69. National Institute of Standards and Technology, Gaithersburg 2005; http://webbook.nist.gov/chemistry/.
26. Eland J. H. D.: Chem. Phys. 2008, 345, 82. <https://doi.org/10.1016/j.chemphys.2008.01.037>
27. Roithová J., Schröder D., Loos J., Schwarz H., Jankowiak H.-C., Berger R., Thissen R., Dutuit O.: J. Chem. Phys. 2005, 122, 094306. <https://doi.org/10.1063/1.1856916>
28. Roithová J., Schröder D.: Int. J. Mass Spectrom. 2007, 267, 134. <https://doi.org/10.1016/j.ijms.2007.02.024>
29. Böhm S., Exner O.: J. Comput. Chem. 2006, 27, 571. <https://doi.org/10.1002/jcc.20368>
30. Hehre W. J., Ditchfield R., Radom L., Pople J. A.: J. Am. Chem. Soc. 1970, 92, 4796. <https://doi.org/10.1021/ja00719a006>
31. Exner O.: J. Org. Chem. 1988, 53, 1810. <https://doi.org/10.1021/jo00243a042>
32. Exner O.: J. Phys. Org. Chem. 1999, 12, 265. <https://doi.org/10.1002/(SICI)1099-1395(199904)12:4<265::AID-POC124>3.0.CO;2-O>
33. Roithová J., Exner O.: J. Phys. Org. Chem. 2001, 14, 752. <https://doi.org/10.1002/poc.424>
34. Exner O., Böhm S.: Chem. Eur. J. 2002, 8, 5147. <https://doi.org/10.1002/1521-3765(20021115)8:22<5147::AID-CHEM5147>3.0.CO;2-T>
35. Exner O., Böhm S.: Chem. Eur. J. 2003, 9, 4718. <https://doi.org/10.1002/chem.200304807>
36. Exner O., Böhm S.: J. Phys. Org. Chem. 2006, 19, 393. <https://doi.org/10.1002/poc.1093>
37. Böhm S., Exner O.: Org. Biomol. Chem. 2008, 6, 1092. <https://doi.org/10.1039/b717913h>