Infrared Spectroscopy of Neutral C7H7 Isomers: Benzyl and Tropyl

Journal of the American Chemical Society

Volumn 125, Issue 51, 2003, Pages 15714-15715

  Satink, Rob G ^a   Meijer, Gerard ^a,b   Von Helden, Gert ^b  

^a FOM INSTITUTE FOR PLASMA PHYSICS RIJNHUIZEN   (Netherlands)

^b FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE DERIVATIVE; TROPANE DERIVATIVE;

ABSORPTION SPECTROPHOTOMETRY; ARTICLE; INFRARED SPECTROSCOPY; ISOMER; ISOMERIZATION; QUANTUM CHEMISTRY; REACTION ANALYSIS;

EID: 0346995006     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja038329i     Document Type: Article

References (29)

1. Lifshitz, C. Acc. Chem. Res. 1994, 27, 138; Moon, J. H.; Choe, J. C.; Kim, M. S. J. Phys. Chem. A 2000, 104, 458; Huang, C.-L.; Jiang, J.-C.; Lee, Y. T.; Ni, C.-K. J. Phys. Chem A 2003, 107, 4019.
2. Lifshitz, C. Acc. Chem. Res. 1994, 27, 138; Moon, J. H.; Choe, J. C.; Kim, M. S. J. Phys. Chem. A 2000, 104, 458; Huang, C.-L.; Jiang, J.-C.; Lee, Y. T.; Ni, C.-K. J. Phys. Chem A 2003, 107, 4019.
3. Lifshitz, C. Acc. Chem. Res. 1994, 27, 138; Moon, J. H.; Choe, J. C.; Kim, M. S. J. Phys. Chem. A 2000, 104, 458; Huang, C.-L.; Jiang, J.-C.; Lee, Y. T.; Ni, C.-K. J. Phys. Chem A 2003, 107, 4019.
4. Smith, B. J.; Hall, N. E. Chem. Phys. Lett. 1997, 279, 165.
5. Pino, T.; Güthe, F.; Ding, H.; Maier, J. P. J. Phys. Chem. A 2002, 106, 10022.
6. Koenig, T.; Chang, J. C. J. Am. Chem. Soc. 1978, 100, 2240.
7. Johnson, R. D., III, J. Chem. Phys. 1991, 95, 7108; Fateley, W. G.; Cumutte, B.; Lippincott, E. R. J. Chem. Phys. 1957, 26, 1471; Sourisseau, C. Spectrochim. Acta 1978, 34A, 881; Howard, J.; Graham, D. Spectrochim. Acta 1985, 41A, 815; Lee, E. P. F.; Wright, T. G. J. Phys. Chem. A 1998, 102, 4007.
8. Johnson, R. D., III, J. Chem. Phys. 1991, 95, 7108; Fateley, W. G.; Cumutte, B.; Lippincott, E. R. J. Chem. Phys. 1957, 26, 1471; Sourisseau, C. Spectrochim. Acta 1978, 34A, 881; Howard, J.; Graham, D. Spectrochim. Acta 1985, 41A, 815; Lee, E. P. F.; Wright, T. G. J. Phys. Chem. A 1998, 102, 4007.
9. Johnson, R. D., III, J. Chem. Phys. 1991, 95, 7108; Fateley, W. G.; Cumutte, B.; Lippincott, E. R. J. Chem. Phys. 1957, 26, 1471; Sourisseau, C. Spectrochim. Acta 1978, 34A, 881; Howard, J.; Graham, D. Spectrochim. Acta 1985, 41A, 815; Lee, E. P. F.; Wright, T. G. J. Phys. Chem. A 1998, 102, 4007.
10. Johnson, R. D., III, J. Chem. Phys. 1991, 95, 7108; Fateley, W. G.; Cumutte, B.; Lippincott, E. R. J. Chem. Phys. 1957, 26, 1471; Sourisseau, C. Spectrochim. Acta 1978, 34A, 881; Howard, J.; Graham, D. Spectrochim. Acta 1985, 41A, 815; Lee, E. P. F.; Wright, T. G. J. Phys. Chem. A 1998, 102, 4007.
11. Johnson, R. D., III, J. Chem. Phys. 1991, 95, 7108; Fateley, W. G.; Cumutte, B.; Lippincott, E. R. J. Chem. Phys. 1957, 26, 1471; Sourisseau, C. Spectrochim. Acta 1978, 34A, 881; Howard, J.; Graham, D. Spectrochim. Acta 1985, 41A, 815; Lee, E. P. F.; Wright, T. G. J. Phys. Chem. A 1998, 102, 4007.
12. Shin, S. K. Chem. Phys. Lett. 1997, 280, 260.
13. Calculated from the ionization potential (IP) of tropyl (ref 4), the IP of benzyl (Eiden, G. C.; Weinhold, F.; Weisshaar, J. C. J. Chem. Phys. 1991, 95, 8665) and the difference in heat of formation of the cationic radicals (ref 6).
14. Jahn, H. A.; Teller, E. Proc. R. Soc. London. Ser. A 1937, 161, 220; Child, M. S.; Longuet-Higgens, H. C. Proc. R. Soc. London, Ser. A 1961, 245, 259.
15. Jahn, H. A.; Teller, E. Proc. R. Soc. London. Ser. A 1937, 161, 220; Child, M. S.; Longuet-Higgens, H. C. Proc. R. Soc. London, Ser. A 1961, 245, 259.
16. Lindner, R.; Müller-Dethlefs, K.; Wedum, E.; Haber, K.; Grant, E. R. Science 1996, 271, 1698.
17. Silverstone, H. J.; Wood, D. E.; McConnell, H. M. J. Chem. Phys. 1964, 41, 2311.
18. Satink, R. G.; Piest, J. A.; von Helden, G.; Meijer, G. J. Chem. Phys. 1999, 111, 10750; Bakker, J. M.; Satink, R. G.; von Helden, G.; Meijer, G. Phys. Chem. Chem. Phys. 2002, 4, 24.
19. Satink, R. G.; Piest, J. A.; von Helden, G.; Meijer, G. J. Chem. Phys. 1999, 111, 10750; Bakker, J. M.; Satink, R. G.; von Helden, G.; Meijer, G. Phys. Chem. Chem. Phys. 2002, 4, 24.
20. Piest, J. A.; von Helden, G.; Meijer, G. J. Chem. Phys. 1999, 110, 2010; Satink, R. G.; Meijer, G.; von Helden, G. Chem. Phys. Lett. 2003, 371, 469.
21. Piest, J. A.; von Helden, G.; Meijer, G. J. Chem. Phys. 1999, 110, 2010; Satink, R. G.; Meijer, G.; von Helden, G. Chem. Phys. Lett. 2003, 371, 469.
22. Güthe, F.; Ding, H.; Pino, T.; Maier, J. P. Chem. Phys. 2001, 269, 347; Engelking, P. C. Rev. Sci. Instrum. 1986, 57, 2274.
23. Güthe, F.; Ding, H.; Pino, T.; Maier, J. P. Chem. Phys. 2001, 269, 347; Engelking, P. C. Rev. Sci. Instrum. 1986, 57, 2274.
24. Knippels, G. M. H.; Mols, R. F. X. A. M.; van der Meer, A. F. G.; Oepts, D.; van Amersfoort, P. W. Phys. Rev. Lett. 1995, 75, 1755.
25. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, Development Version, revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.
26. Baskir, E. G.; Maltsev, A. K.; Korolev, V. A.; Khabashesku, V. N.; Nefedov, O. M. Russ. Chem. Bull. 1993, 42, 1438.
27. Selco, J. I.; Carrick, P. G. J. Mol. Spectrosc. 1989, 137, 13.
28. Müller-Dethlefs, K.; Peel, J. B. J. Chem. Phys. 1999, 111, 10550.
29. Applegate, B. E.; Miller T. A. J. Chem. Phys. 2002, 117, 10654.