Bulletin of the Korean Chemical Society

  • 제34권3호
  • /
  • Pages.763-767
  • /
  • 2013
  • /
  • 0253-2964(pISSN)
  • /
  • 1229-5949(eISSN)
대한화학회 (Korean Chemical Society)
권호 표지
DOI QR코드

DOI QR Code

Spectroscopic Identification of Isomeric 2,3- and 2,6-Dimethylbenzyl Radicals in Corona Discharge

  • 투고 : 2012.10.08
  • 심사 : 2012.12.08
  • 발행 : 2013.03.20
PDF 다운로드
⟨ 이전 논문 다음 논문 ⟩

초록

We resolved the controversial assignments of the visible vibronic bands observed from corona discharge of 1,2,3-trimethylbenzene. The vibronic bands belonging to the jet-cooled 2,6-dimethylbenzyl radical were clearly identified from the spectrum observed from corona discharge of 2,6-dimethylbenzyl chloride. After subtracting the bands of the 2,6-isomer from the spectrum observed from corona discharge of 1,2,3-trimethylbenzene, the vibronic bands of the 2,3-isomer were also identified. By comparing data with the known vibrational data of 1,2,3-trimethylbenzene and the results of ab initio calculations, we determined the electronic energies of the $D_1{\rightarrow}D_0$ transitions and vibrational mode frequencies in the ground electronic states of the 2,3-and 2,6-dimethylbenzyl radicals.

키워드

참고문헌

  1. Tan, X. Q.; Wright, T. G.; Miller, T. A. Electronic Spectroscopy of Free Radicals in Supersonic Jets: Jet Spectroscopy and Molecular Dynamics; Hollas, J. M., Phillips, D., Eds.; Blackie Academic & Professional: London, 1994.
  2. Fukushima, M.; Obi, K. J. Chem. Phys. 1990, 93, 8488. https://doi.org/10.1063/1.459710
  3. Schuler, H.; Reinebeck, L.; Köberle, A. R. Z. Naturforsch 1952, 7A, 428.
  4. Walker, S.; Barrow, R. F. Trans. Faraday Soc. 1954, 50, 541. https://doi.org/10.1039/tf9545000541
  5. Bindley, T. F.; Watts, A. T.; Walker, S. Trans. Faraday Soc. 1962, 58, 849. https://doi.org/10.1039/tf9625800849
  6. Carlton, T. R.; Thrush, B. A. Chem. Phys. Lett. 1986, 125, 547. https://doi.org/10.1016/0009-2614(86)87096-8
  7. Suh, M. H.; Lee, S. K.; Miller, T. A. J. Mol. Spectrosc. 1999, 194, 211. https://doi.org/10.1006/jmsp.1998.7787
  8. Hiratsuka, H.; Mori, K.; Shizuka, H.; Fukushima, M.; Obi, K. Chem. Phys. Lett. 1989, 157, 35. https://doi.org/10.1016/0009-2614(89)87203-3
  9. Cossart-Magos, C.; Cossart, D.; Leach, S. Chem. Phys. 1973, 1, 306. https://doi.org/10.1016/0301-0104(73)80043-6
  10. Lin, T.-Y. D.; Miller, T. A. J. Phys. Chem. 1990, 94, 3554. https://doi.org/10.1021/j100372a037
  11. Selco, J. I.; Carrick, P. G. J. Mol. Spectrosc. 1995, 173, 277. https://doi.org/10.1006/jmsp.1995.1233
  12. Branciard-Larcher, C.; Migirdicyan, E.; Baudet, J. Chem. Phys. 1973, 2, 95. https://doi.org/10.1016/0301-0104(73)80065-5
  13. Yoon, Y. W.; Lee, S. K. J. Chem. Phys. 2011, 135, 214305. https://doi.org/10.1063/1.3663962
  14. Lee, S. K.; Ahn, B. U.; Lee, S. K. J. Phys. Chem. A 2003, 107, 6554. https://doi.org/10.1021/jp0350215
  15. Lee, G. W.; Lee, S. K. J. Phys. Chem. A 2006, 110, 2130. https://doi.org/10.1021/jp055462j
  16. Han, M. S.; Choi, I. S.; Lee, S. K. Bull. Korean Chem. Soc. 1996, 17, 991.
  17. Selco, J. I.; Carrick, P. G. J. Mol. Spectrosc. 1989, 137, 13. https://doi.org/10.1016/0022-2852(89)90264-6
  18. Weise, M. L.; Smith, M. W.; Glennon, B. M. Atomic Transition Probabilities; NSRD-NBS4; NBS: Washington, DC, 1966.
  19. Lee, S. K. Chem. Phys. Lett. 2002, 358, 110. https://doi.org/10.1016/S0009-2614(02)00595-X
  20. Banwell, C. N.; McCash, E. M. Fundamentals of Molecular Spectroscopy, 4th ed.; McGraw-Hill: New York, 1994.
  21. Lejeune, V.; Despres, A.; Fourmann, B.; Benoist d'Azy, O.; Migirdicyan, E. J. Phys. Chem. 1987, 91, 6620. https://doi.org/10.1021/j100311a013
  22. Wallaart, H. L.; Pier, B.; Perrin, M.-Y.; Martin, J.-P. Chem. Phys. Lett. 1995, 246, 587. https://doi.org/10.1016/0009-2614(95)01170-5
  23. Yoon, Y. W.; Lee, S. K. J. Chem. Phys. 2012, 136, 024309. https://doi.org/10.1063/1.3675837
  24. Varsanyi, G. Assignments for Vibrational Spectra of Seven Hundred Benzene Derivatives; John Wiley & Sons: New York, 1974.
  25. Lee, G. W.; Lee, S. K. J. Phys. Chem. A 2006, 110, 2130. https://doi.org/10.1021/jp055462j
  26. Lee, G. W.; Lee, S. K. J. Phys. Chem. A 2007, 111, 6003. https://doi.org/10.1021/jp066488t
  27. Wilson, E. B. Phys. Rev. 1934, 45, 706. https://doi.org/10.1103/PhysRev.45.706

피인용 문헌

  1. Vibronic Assignments of Isomeric Trimethylbenzyl Radicals : Revisited vol.35, pp.3, 2013, https://doi.org/10.5012/bkcs.2014.35.3.737