Photoracemization and excited state relaxation through non-adiabatic pathways in chromium (III) oxalate ions

Journal of Chemical Physics

Volumn 137, Issue 3, 2012, Pages

  Zurek, Justyna M ^a   Paterson, Martin J ^a  

^a HERIOT WATT UNIVERSITY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEX FORMS; COMPUTATIONAL STUDIES; CONICAL INTERSECTION; EXCITED STATE RELAXATION; INTERSYSTEM CROSSING; NON-ADIABATIC; OPEN-SHELL; OXALATE IONS; PHOTO-INDUCED;

CHROMIUM; GROUND STATE; STEREOCHEMISTRY;

CHROMIUM COMPOUNDS;

EID: 84864239685     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4736561     Document Type: Article

References (34)

1. L. S. Forster, Chem. Rev. 90, 331 (1990). 10.1021/cr00100a001
2. D. K. Geiger, Coord. Chem. Rev. 152, 359 (1996). 10.1016/0010-8545(96) 01276-3
3. N. A. P. Kane-Maguire, Top. Curr. Chem. 280, 37 (2007). 10.1007/978-3-540-73347-8
4. A. D. Kirk, Comments Inorg. Chem. 14, 89 (1993). 10.1080/ 02603599308048658
5. A. D. Kirk, Chem. Rev. 99, 1607 (1999). 10.1021/cr960111+
6. A. D. Kirk and G. Irwin, Coord. Chem. Rev. 211, 25 (2001). 10.1016/S0010-8545(00)00281-2
7. M. Milos, S. Kairouani, S. Rabaste, and A. Hauser, Coord. Chem. Rev. 252, 2540 (2008). 10.1016/j.ccr.2008.04.006
8. L. S. Forster, Coord. Chem. Rev. 248, 261 (2003). 10.1016/j.ccr.2003.10. 014
9. L. S. Forster, Coord. Chem. Rev. 227, 59 (2002). 10.1016/S0010-8545(01) 00458-1
10. K. V. Krishnamurty and G. M. Harris, Chem. Rev. 61, 213 (1961). 10.1021/cr60211a001
11. A. W. Adamson and S. T. Spees, in Proceedings of the International Conference on Coordination Chemistry, London, 1959.
12. S. T. Spees and A. W. Adamson, Inorg. Chem. 1, 531 (1962). 10.1021/ic50003a018
13. J. M. urek and M. J. Paterson, Inorg. Chem. 48, 10652 (2009). 10.1021/ic901285f
14. J. M. urek and M. J. Paterson, J. Phys. Chem. Lett. 1, 1301 (2010). 10.1021/jz100156p
15. R. G. McKinlay, J. M. urek, and M. J. Paterson, Adv. Inorg. Chem. 62, 351 (2010). 10.1016/S0898-8838(10)62009-0
16. J. M. urek and M. J. Paterson, J. Phys. Chem. A 116, 5375 (2012). 10.1021/jp302300q
17. 2 point groups.
18. G. Scalmani, M. J. Frisch, B. Mennucci, J. Tomasi, R. Cammi, and V. Barone, J. Chem. Phys. 124, 94107 (2006). 10.1063/1.2173258
19. G. Scalmani and M. J. Frisch, J. Chem. Phys. 132, 114110 (2010). 10.1063/1.3359469
20. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, Ö. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, GAUSSIAN 09, Revision A.2, Gaussian, Inc., Wallingford CT, 2009.
21. B. J. Persson, B. O. Roos, and K. Pierloot, J. Chem. Phys. 101, 6810 (1994). 10.1063/1.468309
22. R. L. Martin, J. Chem. Phys. 118, 4775 (2003). 10.1063/1.1558471
23. P. Pulay and T. P. Hamilton, J. Chem. Phys. 88, 4926 (1988). 10.1063/1.454704
24. G. A. Worth, G. Welch, and M. J. Paterson, Mol. Phys. 104, 1095 (2006). 10.1080/00268970500418182
25. M. J. Paterson, P. A. Hunt, M. A. Robb, and O. Takahashi, J. Phys. Chem. A 106, 10494 (2002). 10.1021/jp026394t
26. M. J. Paterson, L. Blancafort, S. Wilsey, and M. A. Robb, J. Phys. Chem. A 106, 11431 (2002). 10.1021/jp026418w
27. R. G. McKinlay and M. J. Paterson, in The Jahn-Teller Effect: Advances and Perspectives; Springer Series in Chemical Physics, edited by, H. Köppel, H. Barentzen, and, D. R. Yarkony, (Springer, Heidelberg, 2010), p. 311.
28. J. N. van Niekerk and F. R. L. Schoening, Acta Cryst. 4, 35 (1951). 10.1107/S0365110X51000064
29. J. Fujita, A. E. Martell, and K. Nakamoto, J. Chem. Phys. 36, 324 (1962). 10.1063/1.1732504
30. J. N. van Niekerk and F. R. L. Schoening, Acta Cryst. 4, 381 (1951). 10.1107/S0365110X51001239
31. R. A. Condrate and L. S. Forster, J. Mol. Spectrosc. 24, 490 (1967). 10.1016/0022-2852(67)90108-7
32. Z. D. Li and W. J. Liu, J. Chem. Phys. 133, 064106 (2010). 10.1063/1.3463799
33. Z. D. Li, W. J. Liu, Y. Zhang, and B. B. Suo, J. Chem. Phys. 134, 134101 (2011). 10.1063/1.3573374
34. T. Schönherr, J. Spanier, and H. H. Schmidtke, J. Phys. Chem. 93, 5969 (1989). 10.1021/j100353a006