thionylimide (HNSO);
high-resolution IR spectroscopy;
rovibrational analysis;
spectral analysis by subtraction of simulated intensities (SASSI);
D O I:
10.1016/j.jms.2006.10.001
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
O56 [分子物理学、原子物理学];
学科分类号:
070203 ;
070304 ;
081704 ;
1406 ;
摘要:
We report a rovibrational analysis of the v(4) and v(6) fundamentals and the 2v(5) overtone of HNSO from high-resolution Fourier transform infrared spectra. The v(6) band (out-of-plane bend) centred at 757.5 cm(-1) is c-type. The v(4) band (FINS bend) centred at 905.9 cm(-1) is predominantly a-type with a very weak b-type component (mu(2)(a)/mu(2)(b) = 12.4). Numerous global perturbations and localized avoided crossings affecting the v(4) = 1 rotational levels were successfully treated by inclusion of Fermi and c-axis Coriolis resonance terms between v(4) = 1 and v(5) = 2, and a b-axis Coriolis resonance term between v(4) = 1 and v(6) = 1. The latter term gives rise to an avoided crossing with an extraordinary vertical bar Delta K-a vertical bar = 5 selection rule. The Fermi resonance between v(4) = 1 and v(5) = 2 gives rise to strong mixing of their rotational wavefunctions in the vicinity of K-a = 18. The resultant borrowing of intensity made it possible for 2v(5) transitions in the range K-a = 16-19 to be assigned and included in a global rovibrational treatment of all three band systems. (c) 2006 Elsevier Inc. All rights reserved.
机构:
Univ CaFoscari Venezia, Dipartimento Sci Molecolari & Nanosistemi, Via Torino 155, I-30172 Venice, VE, ItalyUniv CaFoscari Venezia, Dipartimento Sci Molecolari & Nanosistemi, Via Torino 155, I-30172 Venice, VE, Italy
Stoppa, Paolo
Charmet, Andrea Pietropolli
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Univ CaFoscari Venezia, Dipartimento Sci Molecolari & Nanosistemi, Via Torino 155, I-30172 Venice, VE, ItalyUniv CaFoscari Venezia, Dipartimento Sci Molecolari & Nanosistemi, Via Torino 155, I-30172 Venice, VE, Italy
Charmet, Andrea Pietropolli
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Tamassia, Filippo
Cane, Elisabetta
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机构:
Univ Bologna, Dipartimento Chim Industriale Toso Montanari, Viale Risorgimento 4, I-40136 Bologna, ItalyUniv CaFoscari Venezia, Dipartimento Sci Molecolari & Nanosistemi, Via Torino 155, I-30172 Venice, VE, Italy
Cane, Elisabetta
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Melosso, Mattia
Achilli, Andre
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Univ Bologna, Dipartimento Chim Giacomo Ciamician, Via Selmi 2, I-40126 Bologna, ItalyUniv CaFoscari Venezia, Dipartimento Sci Molecolari & Nanosistemi, Via Torino 155, I-30172 Venice, VE, Italy
Achilli, Andre
Dore, Luca
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Univ Bologna, Dipartimento Chim Giacomo Ciamician, Via Selmi 2, I-40126 Bologna, ItalyUniv CaFoscari Venezia, Dipartimento Sci Molecolari & Nanosistemi, Via Torino 155, I-30172 Venice, VE, Italy
Dore, Luca
Puzzarini, Cristina
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Univ Bologna, Dipartimento Chim Giacomo Ciamician, Via Selmi 2, I-40126 Bologna, ItalyUniv CaFoscari Venezia, Dipartimento Sci Molecolari & Nanosistemi, Via Torino 155, I-30172 Venice, VE, Italy
Puzzarini, Cristina
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER,
2023,
309
机构:
Univ Paris Est Creteil & Paris Diderot, LISA, UMR CNRS 7583, Inst Pierre Simon Laplace, F-94010 Creteil, FranceNatl Inst Stand & Technol, Opt Technol Div, Gaithersburg, MD 20899 USA
Flaud, J. -M.
Lafferty, W. J.
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Natl Inst Stand & Technol, Opt Technol Div, Gaithersburg, MD 20899 USANatl Inst Stand & Technol, Opt Technol Div, Gaithersburg, MD 20899 USA
Lafferty, W. J.
Tchana, F. Kwabia
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Univ Paris Est Creteil & Paris Diderot, LISA, UMR CNRS 7583, Inst Pierre Simon Laplace, F-94010 Creteil, FranceNatl Inst Stand & Technol, Opt Technol Div, Gaithersburg, MD 20899 USA
Tchana, F. Kwabia
Perrin, A.
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Univ Paris Est Creteil & Paris Diderot, LISA, UMR CNRS 7583, Inst Pierre Simon Laplace, F-94010 Creteil, FranceNatl Inst Stand & Technol, Opt Technol Div, Gaithersburg, MD 20899 USA
Perrin, A.
Landsheere, X.
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Univ Paris Est Creteil & Paris Diderot, LISA, UMR CNRS 7583, Inst Pierre Simon Laplace, F-94010 Creteil, FranceNatl Inst Stand & Technol, Opt Technol Div, Gaithersburg, MD 20899 USA