Abstract
A technique for estimating the changes in the geometrical structural parameters of complex compounds during charge-transfer electron excitations is proposed. The method combines the experimental Raman resonance data, the wave packet dynamics procedure, and quantum-chemical calculations of the geometry and vibrational spectra of relatively small fragments of the complex ion. The technique is used to determine the changes in the geometrical structure of 2,\(2'\)-bipyridine during metal–ligand charge transfer excitations in Ru(II) complexes.
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REFERENCES
M. W. Schmidt, K. K. Baldridge, J. A. Boatz, et al., J. Comput. Chem., 14, 1347–1363 (1993).
J. A. Foresman and A. Frisch, Exploring Chemistry with Electronic Methods, Gaussian Inc., Pittsburg, PA (1993).
W. Thiel, Adv. Chem. Phys., 43, 703 (1996).
S. Huzinaga, J. Andzelm, M. Klobukowski, et al., Gaussian Basis Sets for Molecular Calculations, Elsevier, Amsterdam (1984).
O. V. Sizova, V. V. Sizov, A. Yu. Ershov, et al., to appear in: Zh. Obshch. Khim.
B. O. Roos, K. Andersson, M. P. Fulscher, et al., Adv. Chem. Phys., 43, 219–331 (1996).
A. B. Myers, Chem. Rev., 96, 911–926 (1996).
P. K. Mallick, D. P. Strommen, and J. R. Kincaid, J. Phys. Chem., 92, 5628–5634 (1988).
S. K. Doorn and J. T. Hupp, J. Am. Chem. Soc., 111, 4704–4712 (1989).
P. K. Mallick, D. P. Strommen and J. R. Kincaid, ibid., 112, 1686–1690 (1990).
G. D. Danziger and J. R. Kincaid, J. Phys. Chem., 94, 3976–3980 (1990).
D. P. Strommen, P. K. Mallick, G. D. Danzer, et al., ibid., 94, 1357–1366 (1990).
K. Maruszewski, K. Bajdor, D. P. Strommen, and J. R. Kincaid, ibid., 99, 6286–6293 (1995).
I. Srnova-Sloufova, B. Vlckova, Th. L. Snoeck, et al., Inorg. Chem., 39, 3551–3559 (2000).
J. F. Arenas, M. S. Woolley, J. C. Otero, and J. I. Marcos, J. Phys. Chem., 100, 3199–3206 (1996).
M. Lilichenko, D. Tittelbach-Helmrich, J. W. Verhoeven, et al., J. Chem. Phys., 109, 10958–10969 (1998).
A. M. Moran and A. Myers Kelley, ibid., 115, 912–924 (2001).
D. J. Tannor and E. J. Heller, ibid., 77, 202–218 (1982).
A. B. Myers and R. A. Mathies, Biological Applications of Raman Spectrometry, Vol. 2 (1987), pp. 1–58.
N. H. Damrauer, B. T. Weldon, and J. K. McMusker, J. Phys. Chem. A, 102, 3382–3397 (1998).
M. Biner, H.-B. Bengy, A. Ludi, and C. Rohe, J. Am. Chem. Soc., 114, 5197–5203 (1992).
D. R. Rillema, D. S. Jones, and H. A. Levy, Chem. Commun., 49–52 (1979).
B. K. Santra, M. Menon, C. K. Pal, and G. K. Lahiri, J. Chem. Soc. Dalton Trans., No. 8, 1387–1393 (1997).
L.-N. Ji, B.-H. Ye, L. Wanf, et al., ibid., No. 8, 1395–1401 (1997).
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Baranovskii, V.I., Lyubimova, O.O., Makarov, A.A. et al. Geometry of Transition Metal Complexes with Bipyridine in the Excited States. Journal of Structural Chemistry 43, 373–382 (2002). https://doi.org/10.1023/A:1020353028719
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DOI: https://doi.org/10.1023/A:1020353028719