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

Collection of Czechoslovak Chemical Communications

Volumn 74, Issue 1, 2009, Pages 101-114

  Milko, Petr ^a   Schröder, Detlef ^a   Lemr, Karel ^b   Žabkac, Ján ^c   Alcaraz, Christian ^d,e   Roithová, Jana ^a,f  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^b PALACKÝ UNIVERSITY   (Czech Republic)

^c J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

^d UNIVERSITÉ PARIS SUD   (France)

^e SYNCHROTRON SOLEIL   (France)

^f CHARLES UNIVERSITY   (Czech Republic)

Author keywords

Arenes; Ionization energy; Isodesmic reactions; Jahn Teller effect; Mass spectrometry; Substituent effect; Synchrotron

Indexed keywords

EID: 63849246920     PISSN: 00100765     EISSN: None     Source Type: Journal    
DOI: 10.1135/cccc2008166     Document Type: Article

References (37)

1. Held A., Schlag E. W.: Ace. Chem. Res. 1998, 31, 467.
2. Berkowitz J., Ellison G. B., Gutman D.: J. Phys. Chem. 1994, 98, 2744.
3. Blanksby S. J., Ellison G. B.: Ace. Chem. Res. 2003, 36, 255.
4. Armentrout P. B.: Top. Curr. Chem. 2003, 225, 233.
5. Bouchoux G., Salpin J. Y., Leblanc D.: Int. J. Mass Spectrom. Ion Processes 1996, 153, 37.
6. Brown J. R., Schwerdtfeger P., Schröder D., Schwarz H.: J. Am. Soc. Mass Spectrom. 2002, 13, 485.
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.
9. Ervin K. M.: Chem. Rev. 2001, 101, 391.
10. Curtiss L. A., Raghavachari K., Redfern P. C, Rassolov V., Pople J. A.: J. Chem. Phys. 1998, 108, 7764.
11. Roithová J., Schröder D.: J. Am. Chem. Soc. 2006, 128, 4208.
12. Roithová J., Žabka J., Ascenzi D., Franceschi P., Ricketts C. L., Schröder D.: Chem. Phys. Lett. 2006, 423, 254.
13. Ricketts C. L., Schröder D., Alcaraz C., Roithová J.: Chem. Eur. J. 2008, 14, 4779.
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.
16. Roithová J., Schröder D., Schwarz H.: Chem. Eur. J. 2005, 11, 627.
17. Roithová J., Schröder D.: Phys. Chem. Chem. Phys. 2007, 9, 731.
18. Baboul A. G., Curtiss L. A., Redfern P. C, Raghavachari K.: J. Chem. Phys. 1999, 110, 7650.
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.
21. Lee C, Yang W., Parr R. G.: Phys. Rev. B 1988, 37, 785.
22. Miehlich B., Savin A., Stoll H., Preuss H.: Chem. Phys. Lett. 1989, 157, 200.
23. Wannier G. H.: Phys. Rev. 1953, 90, 817.
24. Wannier G. H.: Phys. Rev. 1955, 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.
27. Roithová J., Schröder D., Loos J., Schwarz H., Jankowiak H.-C., Berger R., Thissen R., Dutuit O.: J. Chem. Phys. 2005, 122, 094306.
28. Roithová J., Schröder D.: Int. J. Mass Spectrom. 2007, 267, 134.
29. Böhm S., Exner O.: J. Comput. Chem. 2006, 27, 571.
30. Hehre W. J., Ditchfield R., Radom L, Pople J. A.: J. Am. Chem. Soc. 1970, 92, 4796.
31. Exner O.: J. Org. Chem. 1988, 53, 1810.
32. Exner O.: J. Phys. Org. Chem. 1999, 12, 265.
33. Roithová J., Exner O.: J. Phys. Org. Chem. 2001, 14, 752.
34. Exner O., Böhm S.: Chem. Eur. J. 2002, 8, 5147.
35. Exner O., Böhm S.: Chem. Eur. J. 2003, 9, 4718.
36. Exner O., Böhm S.: J. Phys. Org. Chem. 2006, 19, 393.
37. Böhm S., Exner O.: Org. Biomol. Chem. 2008, 6, 1092.