IRIS publication 67924405
Van der Waals complexes of jet-cooled aromatic thiones with noble gases: The phosphorescence excitation spectrum of 4H-pyran-4-thione
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TY - JOUR - Ruth*, A. A.,Okeeffe, F. J.,Mansfield, M. W. D.,Brint, R. P. - 1997 - October - Journal of Physical Chemistry A - Van der Waals complexes of jet-cooled aromatic thiones with noble gases: The phosphorescence excitation spectrum of 4H-pyran-4-thione - Validated - () - 101 - 42 - 7735 - 7741 - The solvent spectral shifts of the S-0 --> T-1 origin bands of jet-cooled 4H-pyran-4-thione (PT) and 4H-1-benzopyran-4-thione (BPT) were observed in phosphorescence excitation spectra, Van der Waals complexes (1:1) of seed molecules with the carrier gas were observed in several rare gases. In all cases, the combination of a dispersive red-shift and a dipole-induced dipole blue-shift produced a total red-shift, up to a maximum of delta<(nu)over tilde> = -21 cm(-1) for PT-Xe and delta<(nu)over tilde> = -30 cm(-1) for BPT-Xe. Complexes of 1:n (n > 1) were not observable owing to the weakness of the direct S-0 --> T-1 transition. The inductive contributions to the shifts were calculated using values of excited-state dipole moments estimated from solution Stokes shifts; the dipole moments of both molecules in T-1 were found to be close to zero, significantly smaller than their ground-state dipole moments. The phosphorescence excitation spectrum of isolated PT is discussed in some detail. The electronic origin of T-1 at 16 844 cm(-1) is assigned to the transition S-0,S-0 --> T-1z,T-0; the transitions S-0,S-0 reversible arrow T-1(xy,0) are too weak to be detected with this method. Vibronic transitions S-0,S-0 --> T-1z,T-v in PT were analyzed up to excess energies of similar to hc1450 cm(-1).The solvent spectral shifts of the S-0 --> T-1 origin bands of jet-cooled 4H-pyran-4-thione (PT) and 4H-1-benzopyran-4-thione (BPT) were observed in phosphorescence excitation spectra, Van der Waals complexes (1:1) of seed molecules with the carrier gas were observed in several rare gases. In all cases, the combination of a dispersive red-shift and a dipole-induced dipole blue-shift produced a total red-shift, up to a maximum of delta<(nu)over tilde> = -21 cm(-1) for PT-Xe and delta<(nu)over tilde> = -30 cm(-1) for BPT-Xe. Complexes of 1:n (n > 1) were not observable owing to the weakness of the direct S-0 --> T-1 transition. The inductive contributions to the shifts were calculated using values of excited-state dipole moments estimated from solution Stokes shifts; the dipole moments of both molecules in T-1 were found to be close to zero, significantly smaller than their ground-state dipole moments. The phosphorescence excitation spectrum of isolated PT is discussed in some detail. The electronic origin of T-1 at 16 844 cm(-1) is assigned to the transition S-0,S-0 --> T-1z,T-0; the transitions S-0,S-0 reversible arrow T-1(xy,0) are too weak to be detected with this method. Vibronic transitions S-0,S-0 --> T-1z,T-v in PT were analyzed up to excess energies of similar to hc1450 cm(-1). - 1089-56391089-5639 - ://A1997YB79500009 ://A1997YB79500009 DA - 1997/10 ER -
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@article{V67924405, = {Ruth*, A. A. and Okeeffe, F. J. and Mansfield, M. W. D. and Brint, R. P. }, = {1997}, = {October}, = {Journal of Physical Chemistry A}, = {Van der Waals complexes of jet-cooled aromatic thiones with noble gases: The phosphorescence excitation spectrum of 4H-pyran-4-thione}, = {Validated}, = {()}, = {101}, = {42}, pages = {7735--7741}, = {{The solvent spectral shifts of the S-0 --> T-1 origin bands of jet-cooled 4H-pyran-4-thione (PT) and 4H-1-benzopyran-4-thione (BPT) were observed in phosphorescence excitation spectra, Van der Waals complexes (1:1) of seed molecules with the carrier gas were observed in several rare gases. In all cases, the combination of a dispersive red-shift and a dipole-induced dipole blue-shift produced a total red-shift, up to a maximum of delta<(nu)over tilde> = -21 cm(-1) for PT-Xe and delta<(nu)over tilde> = -30 cm(-1) for BPT-Xe. Complexes of 1:n (n > 1) were not observable owing to the weakness of the direct S-0 --> T-1 transition. The inductive contributions to the shifts were calculated using values of excited-state dipole moments estimated from solution Stokes shifts; the dipole moments of both molecules in T-1 were found to be close to zero, significantly smaller than their ground-state dipole moments. The phosphorescence excitation spectrum of isolated PT is discussed in some detail. The electronic origin of T-1 at 16 844 cm(-1) is assigned to the transition S-0,S-0 --> T-1z,T-0; the transitions S-0,S-0 reversible arrow T-1(xy,0) are too weak to be detected with this method. Vibronic transitions S-0,S-0 --> T-1z,T-v in PT were analyzed up to excess energies of similar to hc1450 cm(-1).The solvent spectral shifts of the S-0 --> T-1 origin bands of jet-cooled 4H-pyran-4-thione (PT) and 4H-1-benzopyran-4-thione (BPT) were observed in phosphorescence excitation spectra, Van der Waals complexes (1:1) of seed molecules with the carrier gas were observed in several rare gases. In all cases, the combination of a dispersive red-shift and a dipole-induced dipole blue-shift produced a total red-shift, up to a maximum of delta<(nu)over tilde> = -21 cm(-1) for PT-Xe and delta<(nu)over tilde> = -30 cm(-1) for BPT-Xe. Complexes of 1:n (n > 1) were not observable owing to the weakness of the direct S-0 --> T-1 transition. The inductive contributions to the shifts were calculated using values of excited-state dipole moments estimated from solution Stokes shifts; the dipole moments of both molecules in T-1 were found to be close to zero, significantly smaller than their ground-state dipole moments. The phosphorescence excitation spectrum of isolated PT is discussed in some detail. The electronic origin of T-1 at 16 844 cm(-1) is assigned to the transition S-0,S-0 --> T-1z,T-0; the transitions S-0,S-0 reversible arrow T-1(xy,0) are too weak to be detected with this method. Vibronic transitions S-0,S-0 --> T-1z,T-v in PT were analyzed up to excess energies of similar to hc1450 cm(-1).}}, issn = {1089-56391089-5639}, = {://A1997YB79500009 ://A1997YB79500009}, source = {IRIS} }
Data as stored in IRIS
AUTHORS | Ruth*, A. A.,Okeeffe, F. J.,Mansfield, M. W. D.,Brint, R. P. | ||
YEAR | 1997 | ||
MONTH | October | ||
JOURNAL_CODE | Journal of Physical Chemistry A | ||
TITLE | Van der Waals complexes of jet-cooled aromatic thiones with noble gases: The phosphorescence excitation spectrum of 4H-pyran-4-thione | ||
STATUS | Validated | ||
TIMES_CITED | () | ||
SEARCH_KEYWORD | |||
VOLUME | 101 | ||
ISSUE | 42 | ||
START_PAGE | 7735 | ||
END_PAGE | 7741 | ||
ABSTRACT | The solvent spectral shifts of the S-0 --> T-1 origin bands of jet-cooled 4H-pyran-4-thione (PT) and 4H-1-benzopyran-4-thione (BPT) were observed in phosphorescence excitation spectra, Van der Waals complexes (1:1) of seed molecules with the carrier gas were observed in several rare gases. In all cases, the combination of a dispersive red-shift and a dipole-induced dipole blue-shift produced a total red-shift, up to a maximum of delta<(nu)over tilde> = -21 cm(-1) for PT-Xe and delta<(nu)over tilde> = -30 cm(-1) for BPT-Xe. Complexes of 1:n (n > 1) were not observable owing to the weakness of the direct S-0 --> T-1 transition. The inductive contributions to the shifts were calculated using values of excited-state dipole moments estimated from solution Stokes shifts; the dipole moments of both molecules in T-1 were found to be close to zero, significantly smaller than their ground-state dipole moments. The phosphorescence excitation spectrum of isolated PT is discussed in some detail. The electronic origin of T-1 at 16 844 cm(-1) is assigned to the transition S-0,S-0 --> T-1z,T-0; the transitions S-0,S-0 reversible arrow T-1(xy,0) are too weak to be detected with this method. Vibronic transitions S-0,S-0 --> T-1z,T-v in PT were analyzed up to excess energies of similar to hc1450 cm(-1).The solvent spectral shifts of the S-0 --> T-1 origin bands of jet-cooled 4H-pyran-4-thione (PT) and 4H-1-benzopyran-4-thione (BPT) were observed in phosphorescence excitation spectra, Van der Waals complexes (1:1) of seed molecules with the carrier gas were observed in several rare gases. In all cases, the combination of a dispersive red-shift and a dipole-induced dipole blue-shift produced a total red-shift, up to a maximum of delta<(nu)over tilde> = -21 cm(-1) for PT-Xe and delta<(nu)over tilde> = -30 cm(-1) for BPT-Xe. Complexes of 1:n (n > 1) were not observable owing to the weakness of the direct S-0 --> T-1 transition. The inductive contributions to the shifts were calculated using values of excited-state dipole moments estimated from solution Stokes shifts; the dipole moments of both molecules in T-1 were found to be close to zero, significantly smaller than their ground-state dipole moments. The phosphorescence excitation spectrum of isolated PT is discussed in some detail. The electronic origin of T-1 at 16 844 cm(-1) is assigned to the transition S-0,S-0 --> T-1z,T-0; the transitions S-0,S-0 reversible arrow T-1(xy,0) are too weak to be detected with this method. Vibronic transitions S-0,S-0 --> T-1z,T-v in PT were analyzed up to excess energies of similar to hc1450 cm(-1). | ||
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ISBN_ISSN | 1089-56391089-5639 | ||
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URL | ://A1997YB79500009 ://A1997YB79500009 | ||
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