Abstract:
Our previously developed analytical infinite order sudden (IOS) quantum theory of triatomic photodissociation is extended to describe indirect photodissociation processes through a real or virtual intermediate state. The theory uses the IOS approximation for the dynamics in the final dissociative channels and an Airy function approximation for the continuum states. These approximations enable us to evaluate the multi-dimensional non-separable transition amplitudes analytically (as one-dimensional quadratures), despite the different natural coordinates for the initial bound, the intermediate resonant, and the final dissociative states. The fragment internal energy distributions are described as a function of the initial and final quantum states and the photon excitation energy. The theory readily permits the evaluation of rotational distributions for high values of the total angular momentum J in the initial bound molecular state, a feature that would be very difficult with close-coupled methods. In paper II we apply the theory to describe the photofragment yield spectrum of NOCl in the region of the T1(13A″)→S0(11A′) transition. © 1997 American Institute of Physics.
Registro:
Documento: |
Artículo
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Título: | Three-dimensional analytical infinite order sudden quantum theory for triatomic indirect photodissociation processes |
Autor: | Grinberg, H.; Freed, K.F.; Williams, C.J. |
Filiación: | Departamento de Física, Fac. de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aries, Argentina James Franck Institute, Department of Chemistry, University of Chicago, Chicago, IL 60637, United States Consejo Nac. de Invest. Cie. y Tec., Argentina
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Palabras clave: | Approximation theory; Calculations; Dissociation; Electron energy levels; Perturbation techniques; Photochemical reactions; Three dimensional; Indirect photodissociation processes; Three dimensional infinite order sudden quantum theory; Triatomic photodissociation; Quantum theory |
Año: | 1997
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Volumen: | 107
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Número: | 6
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Página de inicio: | 1835
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Página de fin: | 1848
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DOI: |
http://dx.doi.org/10.1063/1.474535 |
Título revista: | Journal of Chemical Physics
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Título revista abreviado: | J Chem Phys
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ISSN: | 00219606
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CODEN: | JCPSA
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PDF: | https://bibliotecadigital.exactas.uba.ar/download/paper/paper_00219606_v107_n6_p1835_Grinberg.pdf |
Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v107_n6_p1835_Grinberg |
Referencias:
- Freed, K.F., Band, Y.B., (1977) Excited States, 3, p. 109. , edited by E. C. Lin Academic, New York
- Balint-Kurti, G.G., Shapiro, M., (1981) Chem. Phys., 61, p. 137
- Shapiro, M., Bersohn, R., (1982) Annu. Rev. Phys. Chem., 33, p. 409
- Brumer, P., Shapiro, M., (1985) Adv. Chem. Phys., 60, p. 371
- Balint-Kurti, G.G., Shapiro, M., (1985) Adv. Chem. Phys., 60, p. 403
- Balint-Kurti, G.G., Dixon, R.N., Marston, C.C., (1992) Int. Rev. Phys. Chem., 11, p. 317
- Band, Y.B., Freed, K.F., (1974) Chem. Phys. Lett., 28, p. 328
- Band, Y.B., Freed, K.F., (1975) J. Chem. Phys., 63, p. 3382
- (1975) J. Chem. Phys., 63, p. 4479
- (1976) J. Chem. Phys., 64, p. 4329
- (1977) J. Chem. Phys., 67, p. 1462
- Atabek, O., Beswick, J.A., Lefebvre, R., Mukamel, S., Jortner, J., (1976) J. Chem. Phys., 65, p. 4035
- Beswick, J.A., Gelbart, W.M., (1980) J. Phys. Chem., 84, p. 3148
- Morse, M., Freed, K.F., (1980) Chem. Phys. Lett., 74, p. 49
- Morse, M.D., Freed, K.F., (1981) J. Chem. Phys., 74, p. 4395
- Halberstadt, N., Beswick, J.A., (1983) Faraday Discuss. Chem. Soc., 73, p. 357
- Morse, M.D., Freed, K.F., (1983) J. Chem. Phys., 78, p. 6045
- Morse, M.D., Band, Y.B., Freed, K.F., (1983) J. Chem. Phys., 78, p. 6066
- Atabek, O., Beswick, J.A., Delgado-Barrio, G., (1985) J. Chem. Phys., 83, p. 2954
- Krause, J.L., Kulander, K.C., Light, J.C., (1992) J. Chem. Phys., 96, p. 4283
- Band, Y.B., Freed, K.F., Kouri, D.J., (1981) J. Chem. Phys., 74, p. 4380
- Schinke, R., (1988) Annu. Rev. Phys. Chem., 39
- (1989) Atom. Mol. Phys., 23, p. 15
- Gianturco, F.A., (1989) Collision Theory for Atoms and Molecules, p. 229. , Plenum, New York
- Schinke, R., (1993) Photodissociation Dynamics, , Cambridge University Press, Cambridge, UK
- Rist, C., Alexander, M.H., (1993) J. Chem. Phys., 98, p. 6196
- Vegiri, A., Alexander, M.H., (1994) J. Chem. Phys., 101, p. 4722
- Werner, H.J., Bauer, C., Rosmus, P., Keller, H.M., Stumpf, M., Schinke, R., (1995) J. Chem. Phys., 102, p. 3593
- Kouri, D.J., (1979) Atom-Molecule Collision Theory, , edited by R. B. Bernstein Plenum, New York
- Hunter, L.W., (1975) J. Chem. Phys., 62, p. 2855
- Grinberg, H., Freed, K.F., Williams, C.J., (1987) J. Chem. Phys., 86, p. 5456
- Grinberg, H., Freed, K.F., Williams, C.J., (1990) J. Chem. Phys., 92, p. 7283
- Grinberg, H., Freed, K.F., Williams, C.J., (1991) Chem. Phys. Lett., 182, p. 297
- Grinberg, H., Williams, C.J., Freed, K.F., (1994) J. Chem. Phys., 100, p. 9215
- Segev, E., Shapiro, M., (1983) J. Chem. Phys., 78, p. 4969
- Heather, R.W., Light, J.C., (1983) J. Chem. Phys., 78, p. 5513
- Vegiri, A., Untch, A., Schinke, R., (1992) J. Chem. Phys., 96, p. 3688
- Desouter-Lecomte, M., Liévin, J., Brems, V., (1995) J. Chem. Phys., 103, p. 4524
- Reid, S.A., Reisler, H., (1994) J. Chem. Phys., 101, p. 5683
- Kukulin, V.I., Krasnopolsky, K.M., Horáček, J., (1989) Theory of Resonances, Principles and Applications, , Kluwer, Dordrecht
- Bohm, A., (1993) Quantum Mechanics: Foundations and Applications, 3rd Ed., , Springer-Verlag, Berlin
- Cohen-Tannoudji, C., Diu, B., Lalöe, F., (1977) Quantum Mechanics, , Wiley, New York
- Morse, M.D., Freed, K.F., Band, Y.B., (1979) J. Chem. Phys., 70, p. 3604
- Morse, M.D., Freed, K.F., Band, Y.B., (1979) J. Chem. Phys., 70, p. 3620
- Louisell, W.H., (1973) Quantum Statistical Properties of Radiation, , Wiley, New York
- Qian, C.X.W., Ogai, A., Iwata, L., Reisler, H., (1988) J. Chem. Phys., 89, p. 6547
- Ogai, A., Qian, C.X.W., Reisler, H., (1990) J. Chem. Phys., 93, p. 1107
- Bai, Y.Y., Ogai, A., Qian, C.X.W., Iwata, L., Segal, G.A., Reisler, H., (1989) J. Chem. Phys., 90, p. 3903
- Qian, C.X.W., Ogai, A., Iwata, L., Reisler, H., (1990) J. Chem. Phys., 92, p. 4296
- Costain, C.C., (1970) Physical Chemistry - An Advanced Treatise, 4, p. 38. , edited by D. Henderson Academic, New York
- Rose, M.E., (1957) Elementary Theory of Angular Momentum, , Wiley, New York
- Brink, D.M., Satchler, G.R., (1975) Angular Momentum, 2nd Ed., , Clarendon, Oxford
- Zare, R.N., (1988) Angular Momentum, , Wiley, New York
- Thompson, W.J., (1994) Angular Momentum, an Illustrated Guide to Rotational Symmetries for Physical Systems, , Wiley, New York
- Abramowitz, M., Stegun, I.A., (1970) Handbook of Mathematical Functions, p. 789. , Dover, New York
- Bersohn, R., Lin, S.H., (1969) Adv. Chem. Phys., 16, p. 67
- Wilson, E.B., Decius, J.C., Cross, P.C., (1955) Molecular Vibrations, , Dover, New York
- Freed, K.F., Lin, S.H., (1975) Chem. Phys., 11, p. 409
- Wang, S.C., (1929) Phys. Rev., 34, p. 243
Citas:
---------- APA ----------
Grinberg, H., Freed, K.F. & Williams, C.J.
(1997)
. Three-dimensional analytical infinite order sudden quantum theory for triatomic indirect photodissociation processes. Journal of Chemical Physics, 107(6), 1835-1848.
http://dx.doi.org/10.1063/1.474535---------- CHICAGO ----------
Grinberg, H., Freed, K.F., Williams, C.J.
"Three-dimensional analytical infinite order sudden quantum theory for triatomic indirect photodissociation processes"
. Journal of Chemical Physics 107, no. 6
(1997) : 1835-1848.
http://dx.doi.org/10.1063/1.474535---------- MLA ----------
Grinberg, H., Freed, K.F., Williams, C.J.
"Three-dimensional analytical infinite order sudden quantum theory for triatomic indirect photodissociation processes"
. Journal of Chemical Physics, vol. 107, no. 6, 1997, pp. 1835-1848.
http://dx.doi.org/10.1063/1.474535---------- VANCOUVER ----------
Grinberg, H., Freed, K.F., Williams, C.J. Three-dimensional analytical infinite order sudden quantum theory for triatomic indirect photodissociation processes. J Chem Phys. 1997;107(6):1835-1848.
http://dx.doi.org/10.1063/1.474535