Excited-state site effects in luminescence spectroscopy of SH radicals in krypton matrices: Experiment and simulations

Bella Grigorenko; Leonid Khriachtchev; Alexandr Nemukhin; Mika Pettersson; Esa Isoniemi; Markku Räsänen

doi:10.1063/1.478482

journal article Mar 22, 1999

Excited-state site effects in luminescence spectroscopy of SH radicals in krypton matrices: Experiment and simulations

Bella Grigorenko Leonid Khriachtchev Alexandr Nemukhin Mika Pettersson

Esa Isoniemi Markku Räsänen

The Journal of Chemical Physics Vol. 110 No. 12 pp. 5836-5843 · AIP Publishing

View at Publisher Save 10.1063/1.478482

Abstract

The specific features in luminescence spectra of SH radicals in solid krypton differing remarkably from those of SH and OH species in various rare-gas matrices are discussed. Of special interest in Kr matrices are two bands appearing in the SH emission spectra under the A 2Σ+←X 2Π excitation, which center at 375 and 413 nm and possess very different lifetimes, 350 and 750 ns. Along with the experimental findings, we describe the results of the mixed quantum-classical molecular dynamics simulations of the emission spectra performed on the diatomics-in-molecules potential energy surfaces of the ground and excited states of the clusters SH@Krn (n⩾250). The simulations show that both bands in the emission spectra refer to the same (A 2Σ+,v′=0→X 2Π,v″) transition and originate from two different trapping sites in the excited state. The band at the shorter wavelength corresponds to the site with a relatively free movement of SH (A) inside the lattice while the adjacent more intense band at the longer wavelength is associated with the site where one of the matrix atoms is attached to the guest molecule forming a transient complex SH(A)⋅Kr inside the solvation shell.

Topics

No keywords indexed for this article. Browse by subject →

References

45

[1]

[2]

J. Chem. Phys. (1952) 10.1063/1.1700339

[3]

Can. J. Phys. (1961) 10.1139/p61-016

[4]

Can. J. Phys. (1966) 10.1139/p66-199

[5]

J. Mol. Spectrosc. (1983) 10.1016/0022-2852(83)90199-6

[6]

J. Chem. Phys. (1996) 10.1063/1.471850

[7]

J. Chem. Phys. (1990) 10.1063/1.458243

[8]

J. Chem. Phys. (1997) 10.1063/1.475108

[9]

J. Chem. Phys. (1981) 10.1063/1.441574

[10]

Mol. Phys. (1982) 10.1080/00268978200101301

[11]

J. Chem. Phys. (1985) 10.1063/1.449037

[12]

Mol. Phys. (1987) 10.1080/00268978700101851

[13]

Mol. Phys. (1988) 10.1080/00268978800100021

[14]

J. Phys. Chem. (1993) 10.1021/j100135a007

[15]

J. Chem. Phys. (1993) 10.1063/1.465037

[16]

J. Chem. Phys. (1997) 10.1063/1.474716

[17]

J. Chem. Phys. (1997) 10.1063/1.474717

[18]

J. Chem. Phys. (1997) 10.1063/1.474685

[19]

J. Chem. Phys. (1998) 10.1063/1.476545

[20]

J. Chem. Phys. (1998) 10.1063/1.476546

[21]

Chem. Phys. Lett. (1992) 10.1016/0009-2614(92)85814-q

[22]

J. Phys. Chem. (1994) 10.1021/j100084a006

[23]

J. Chem. Phys. (1993) 10.1063/1.464654

[24]

J. Chem. Phys. (1998) 10.1063/1.475985

[25]

J. Chem. Phys. (1975) 10.1063/1.431358

[26]

J. Chem. Phys. (1977) 10.1063/1.434665

[27]

[28]

J. Phys. Chem. (1991) 10.1021/j100160a032

[29]

Chem. Phys. (1992) 10.1016/0301-0104(92)80073-5

[30]

J. Chem. Phys. (1994) 10.1063/1.466314

[31]

Can. J. Phys. (1194)

[32]

Chem. Phys. (1995)

[33]

Chem. Phys. Lett. (1995) 10.1016/0009-2614(94)01490-m

[34]

Chem. Phys. Lett. (1996) 10.1016/0009-2614(96)00013-9

[35]

Chem. Phys. (1997) 10.1016/s0301-0104(97)00182-1

[36]

J. Chem. Phys. (1998) 10.1063/1.475813

[37]

J. Chem. Phys. (1985) 10.1063/1.449813

[38]

J. Chem. Phys. (1996) 10.1063/1.472959

[39]

MD–DIM simulations of the (ion-pair)→ (valence) red-shifted transitions of Cl2 in neon matrices

B.L. Grigorenko, A.V. Nemukhin, N.V. Ozhegova

Chemical Physics Letters 1998 10.1016/s0009-2614(98)01007-0

[40]

[41]

J. Chem. Phys. (1996) 10.1063/1.471790

[42]

Chem. Phys. (1997) 10.1016/s0301-0104(97)00107-9

[43]

J. Chem. Phys. (1998) 10.1063/1.475881

[44]

[45]

Mol. Phys. (1986) 10.1080/00268978600101501

Cited By

11

Investigation of matrix-isolated species: spectroscopy and molecular modelling

A V Nemukhin, L Yu Khriachtchev · 2007

Russian Chemical Reviews

Metrics

11

Citations

45

References

Details

Published: Mar 22, 1999
Vol/Issue: 110(12)
Pages: 5836-5843

Authors

B

Bella Grigorenko

Department of Chemistry, Moscow State University, 119899 Moscow, Russia

L

Leonid Khriachtchev

Laboratory of Physical Chemistry, University of Helsinki, P.O. Box 55, FIN-00014, Helsinki, Finland

A

Alexandr Nemukhin

Department of Chemistry, Moscow State University, 119899 Moscow, Russia

M

Mika Pettersson

Laboratory of Physical Chemistry, University of Helsinki, P.O. Box 55, FIN-00014, Helsinki, Finland

E

Esa Isoniemi

Laboratory of Physical Chemistry, University of Helsinki, P.O. Box 55, FIN-00014, Helsinki, Finland

M

Markku Räsänen

Laboratory of Physical Chemistry, University of Helsinki, P.O. Box 55, FIN-00014, Helsinki, Finland

Cite This Article

Bella Grigorenko, Leonid Khriachtchev, Alexandr Nemukhin, et al. (1999). Excited-state site effects in luminescence spectroscopy of SH radicals in krypton matrices: Experiment and simulations. The Journal of Chemical Physics, 110(12), 5836-5843. https://doi.org/10.1063/1.478482

Excited-state site effects in luminescence spectroscopy of SH radicals in krypton matrices: Experiment and simulations

You May Also Like