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P. R. Bunker - One of the best experts on this subject based on the ideXlab platform.
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Toluene internal-rotation: Measurement and simulation of the high-resolution S1–S0 Fluorescence Excitation Spectrum at 0.5 K
The Journal of Chemical Physics, 2000Co-Authors: Allan L. L. East, H. Liu, Edward C. Lim, Per Jensen, Isabelle Déchène, Marek Z. Zgierski, Willem Siebrand, P. R. BunkerAbstract:Rotational structure in the origin band of the S1–S0 Fluorescence Excitation Spectrum of toluene has been measured at 0.012 cm−1 resolution with a rotational temperature of 0.5 K using a pulsed beam apparatus. Such spectra have been obtained for the parent isotopomer and for the isotopomers with mono- and di-deuterated methyl groups. These, and previously known forbidden bands in which the internal-rotation quantum number Ki changes, are simulated here using ab initio internal-rotation-angle-dependent geometries, potential functions, and electronic transition moment function. An adjustment of some of the ab initio parameters allows a close fitting of the spectra to be made, and this can only be achieved if bond lengths and angles are allowed to vary with internal rotation. The resulting geometries for ground and excited-state toluene are the most accurate to date.
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toluene internal rotation measurement and simulation of the high resolution s1 s0 Fluorescence Excitation Spectrum at 0 5 k
Journal of Chemical Physics, 2000Co-Authors: Allan L. L. East, H. Liu, Edward C. Lim, Per Jensen, Isabelle Déchène, Marek Z. Zgierski, Willem Siebrand, P. R. BunkerAbstract:Rotational structure in the origin band of the S1–S0 Fluorescence Excitation Spectrum of toluene has been measured at 0.012 cm−1 resolution with a rotational temperature of 0.5 K using a pulsed beam apparatus. Such spectra have been obtained for the parent isotopomer and for the isotopomers with mono- and di-deuterated methyl groups. These, and previously known forbidden bands in which the internal-rotation quantum number Ki changes, are simulated here using ab initio internal-rotation-angle-dependent geometries, potential functions, and electronic transition moment function. An adjustment of some of the ab initio parameters allows a close fitting of the spectra to be made, and this can only be achieved if bond lengths and angles are allowed to vary with internal rotation. The resulting geometries for ground and excited-state toluene are the most accurate to date.
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ROTATIONAL FINE STRUCTURE IN THE Fluorescence Excitation Spectrum OF TOLUENE
1998Co-Authors: Allan L. L. East, Marek Z. Zgierski, Willem Siebrand, P. R. Bunker, I. Dechene, Per JensenAbstract:$^{1}$ R.A. Walker, E. Richard, K.-T. Lu, E.L. Sibert III, and J.C. Weisshaar, J. Chem. Phys. 102 (1995) p. 8718, and references therein.
D. Solgadi - One of the best experts on this subject based on the ideXlab platform.
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Fluorescence Excitation Spectrum of silver argon van der waals complex
Journal of Chemical Physics, 1991Co-Authors: Christophe Jouvet, S. Martrenchard, C Lardeuxdedonder, D. SolgadiAbstract:Fluorescence Excitation spectra of silver–argon van der Waals complexes are presented. An alternative experimental technique to laser evaporation has been used to produce the cold complexes. The van der Waals states observed correlate with the (4d 10 5s 1) 2 SAgground state and (4d 1 0 5p 1)2 P 0Ag first excited state. The excited state of the Ag–Ar complex is found to be 1235 cm−1 deep, which is unusually large for such metal–rare gas complexes. A perturbation due to a state correlating with the (4d 9 5s 2)2 D metastable Ag state is also observed and analyzed.
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Fluorescence Excitation Spectrum of silver–argon van der Waals complex
The Journal of Chemical Physics, 1991Co-Authors: Christophe Jouvet, C. Lardeux-dedonder, S. Martrenchard, D. SolgadiAbstract:Fluorescence Excitation spectra of silver–argon van der Waals complexes are presented. An alternative experimental technique to laser evaporation has been used to produce the cold complexes. The van der Waals states observed correlate with the (4d 10 5s 1) 2 SAgground state and (4d 1 0 5p 1)2 P 0Ag first excited state. The excited state of the Ag–Ar complex is found to be 1235 cm−1 deep, which is unusually large for such metal–rare gas complexes. A perturbation due to a state correlating with the (4d 9 5s 2)2 D metastable Ag state is also observed and analyzed.
Jaan Laane - One of the best experts on this subject based on the ideXlab platform.
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Jet‐cooled Fluorescence Excitation Spectrum, carbonyl wagging, and ring‐puckering potential energy functions of 3‐cyclopenten‐1‐one in its S1(n,π*) electronic excited state
The Journal of Chemical Physics, 1995Co-Authors: Paul A. Sagear, Jaan LaaneAbstract:The jet‐cooled Fluorescence Excitation Spectrum of 3‐cyclopenten‐1‐one has been recorded in the 308–330 nm region, and the electronic origin for the S1(n,π*) state of A2 symmetry was observed at 30 229 cm−1. The observed Spectrum consists of more than 80 bands involving primarily ν3 (carbonyl stretch), ν29 (carbonyl out‐of‐plane wagging), and ν30 (ring puckering). Bands were also assigned to combinations with seven other vibrational modes. The energies for the v=0 to 11 quantum states of ν29 were measured and used to determine a one‐dimensional potential energy function. This function has energy minima at wagging angles of ±24° and a barrier to inversion of 939 cm−1. Four bands associated with ν30 were observed and were used to determine an asymmetric single‐minimum one‐dimensional ring‐puckering potential energy function for the S1(n,π*) state. The ring‐puckering energy levels in the ν29 vibrational excited states are little changed from the v=0 state indicating that there is little interaction between t...
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jet cooled Fluorescence Excitation Spectrum carbonyl wagging and ring puckering potential energy functions of 3 cyclopenten 1 one in its s1 n π electronic excited state
Journal of Chemical Physics, 1995Co-Authors: Paul A. Sagear, Jaan LaaneAbstract:The jet‐cooled Fluorescence Excitation Spectrum of 3‐cyclopenten‐1‐one has been recorded in the 308–330 nm region, and the electronic origin for the S1(n,π*) state of A2 symmetry was observed at 30 229 cm−1. The observed Spectrum consists of more than 80 bands involving primarily ν3 (carbonyl stretch), ν29 (carbonyl out‐of‐plane wagging), and ν30 (ring puckering). Bands were also assigned to combinations with seven other vibrational modes. The energies for the v=0 to 11 quantum states of ν29 were measured and used to determine a one‐dimensional potential energy function. This function has energy minima at wagging angles of ±24° and a barrier to inversion of 939 cm−1. Four bands associated with ν30 were observed and were used to determine an asymmetric single‐minimum one‐dimensional ring‐puckering potential energy function for the S1(n,π*) state. The ring‐puckering energy levels in the ν29 vibrational excited states are little changed from the v=0 state indicating that there is little interaction between t...
Allan L. L. East - One of the best experts on this subject based on the ideXlab platform.
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Toluene internal-rotation: Measurement and simulation of the high-resolution S1–S0 Fluorescence Excitation Spectrum at 0.5 K
The Journal of Chemical Physics, 2000Co-Authors: Allan L. L. East, H. Liu, Edward C. Lim, Per Jensen, Isabelle Déchène, Marek Z. Zgierski, Willem Siebrand, P. R. BunkerAbstract:Rotational structure in the origin band of the S1–S0 Fluorescence Excitation Spectrum of toluene has been measured at 0.012 cm−1 resolution with a rotational temperature of 0.5 K using a pulsed beam apparatus. Such spectra have been obtained for the parent isotopomer and for the isotopomers with mono- and di-deuterated methyl groups. These, and previously known forbidden bands in which the internal-rotation quantum number Ki changes, are simulated here using ab initio internal-rotation-angle-dependent geometries, potential functions, and electronic transition moment function. An adjustment of some of the ab initio parameters allows a close fitting of the spectra to be made, and this can only be achieved if bond lengths and angles are allowed to vary with internal rotation. The resulting geometries for ground and excited-state toluene are the most accurate to date.
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toluene internal rotation measurement and simulation of the high resolution s1 s0 Fluorescence Excitation Spectrum at 0 5 k
Journal of Chemical Physics, 2000Co-Authors: Allan L. L. East, H. Liu, Edward C. Lim, Per Jensen, Isabelle Déchène, Marek Z. Zgierski, Willem Siebrand, P. R. BunkerAbstract:Rotational structure in the origin band of the S1–S0 Fluorescence Excitation Spectrum of toluene has been measured at 0.012 cm−1 resolution with a rotational temperature of 0.5 K using a pulsed beam apparatus. Such spectra have been obtained for the parent isotopomer and for the isotopomers with mono- and di-deuterated methyl groups. These, and previously known forbidden bands in which the internal-rotation quantum number Ki changes, are simulated here using ab initio internal-rotation-angle-dependent geometries, potential functions, and electronic transition moment function. An adjustment of some of the ab initio parameters allows a close fitting of the spectra to be made, and this can only be achieved if bond lengths and angles are allowed to vary with internal rotation. The resulting geometries for ground and excited-state toluene are the most accurate to date.
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ROTATIONAL FINE STRUCTURE IN THE Fluorescence Excitation Spectrum OF TOLUENE
1998Co-Authors: Allan L. L. East, Marek Z. Zgierski, Willem Siebrand, P. R. Bunker, I. Dechene, Per JensenAbstract:$^{1}$ R.A. Walker, E. Richard, K.-T. Lu, E.L. Sibert III, and J.C. Weisshaar, J. Chem. Phys. 102 (1995) p. 8718, and references therein.
Per Jensen - One of the best experts on this subject based on the ideXlab platform.
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Toluene internal-rotation: Measurement and simulation of the high-resolution S1–S0 Fluorescence Excitation Spectrum at 0.5 K
The Journal of Chemical Physics, 2000Co-Authors: Allan L. L. East, H. Liu, Edward C. Lim, Per Jensen, Isabelle Déchène, Marek Z. Zgierski, Willem Siebrand, P. R. BunkerAbstract:Rotational structure in the origin band of the S1–S0 Fluorescence Excitation Spectrum of toluene has been measured at 0.012 cm−1 resolution with a rotational temperature of 0.5 K using a pulsed beam apparatus. Such spectra have been obtained for the parent isotopomer and for the isotopomers with mono- and di-deuterated methyl groups. These, and previously known forbidden bands in which the internal-rotation quantum number Ki changes, are simulated here using ab initio internal-rotation-angle-dependent geometries, potential functions, and electronic transition moment function. An adjustment of some of the ab initio parameters allows a close fitting of the spectra to be made, and this can only be achieved if bond lengths and angles are allowed to vary with internal rotation. The resulting geometries for ground and excited-state toluene are the most accurate to date.
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toluene internal rotation measurement and simulation of the high resolution s1 s0 Fluorescence Excitation Spectrum at 0 5 k
Journal of Chemical Physics, 2000Co-Authors: Allan L. L. East, H. Liu, Edward C. Lim, Per Jensen, Isabelle Déchène, Marek Z. Zgierski, Willem Siebrand, P. R. BunkerAbstract:Rotational structure in the origin band of the S1–S0 Fluorescence Excitation Spectrum of toluene has been measured at 0.012 cm−1 resolution with a rotational temperature of 0.5 K using a pulsed beam apparatus. Such spectra have been obtained for the parent isotopomer and for the isotopomers with mono- and di-deuterated methyl groups. These, and previously known forbidden bands in which the internal-rotation quantum number Ki changes, are simulated here using ab initio internal-rotation-angle-dependent geometries, potential functions, and electronic transition moment function. An adjustment of some of the ab initio parameters allows a close fitting of the spectra to be made, and this can only be achieved if bond lengths and angles are allowed to vary with internal rotation. The resulting geometries for ground and excited-state toluene are the most accurate to date.
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ROTATIONAL FINE STRUCTURE IN THE Fluorescence Excitation Spectrum OF TOLUENE
1998Co-Authors: Allan L. L. East, Marek Z. Zgierski, Willem Siebrand, P. R. Bunker, I. Dechene, Per JensenAbstract:$^{1}$ R.A. Walker, E. Richard, K.-T. Lu, E.L. Sibert III, and J.C. Weisshaar, J. Chem. Phys. 102 (1995) p. 8718, and references therein.