OCS+
- Formula: COS+
- Molecular weight: 60.075
- CAS Registry Number: 12169-37-8
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Reaction thermochemistry data
Go To: Top, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: COS+ + C2H2 = (COS+ • C2H2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.7 | kcal/mol | PD/KERD | Graul S.T. and Bowers, 1991 | gas phase; ΔrH>= |
ΔrH° | 34. | kcal/mol | PDiss | Orlando, Friedman, et al., 1990 | gas phase |
ΔrH° | 34. | kcal/mol | PDiss | Orlando, Friedman, et al., 1990 | gas phase |
ΔrH° | 33.7 ± 5.3 | kcal/mol | PDiss | Orlando, Friedman, et al., 1990 | gas phase; ΔrH< |
By formula: (COS+ • COS) + COS = (COS+ • 2COS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.6 | kcal/mol | PI | Ono, Osuch, et al., 1981 | gas phase |
By formula: COS+ + COS = (COS+ • COS)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.2 | kcal/mol | PI | Ono, Osuch, et al., 1981 | gas phase |
Vibrational and/or electronic energy levels
Go To: Top, Reaction thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Marilyn E. Jacox
State: C
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 54640 ± 10 | gas | Frey, Gotchev, et al., 1978 | |||||
Wang, Reutt, et al., 1988 | |||||||
Chen, Hochlaf, et al., 2002 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ+ | 1 | CO stretch | 2197.9 | gas | PE TPE | Wang, Reutt, et al., 1988 Chen, Hochlaf, et al., 2002 | |
Π | 2 | Bend | 477.5 | gas | PE TPE | Wang, Reutt, et al., 1988 Chen, Hochlaf, et al., 2002 | |
Σ+ | 3 | CS stretch | 882.4 | gas | TPE | Chen, Hochlaf, et al., 2002 | |
State: B
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 39180 ± 10 | gas | Frey, Gotchev, et al., 1978 | |||||
Kakoschke, Boesl, et al., 1985 | |||||||
Wang, Reutt, et al., 1988 | |||||||
Chen, Hochlaf, et al., 2002 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ+ | 1 | CO stretch | 1876.9 | gas | PE TPE | Wang, Reutt, et al., 1988 Chen, Hochlaf, et al., 2002 | |
Π | 2 | Bend | 515 ± 3 | gas | PF PE | Kakoschke, Boesl, et al., 1985 Wang, Reutt, et al., 1988 | |
Σ+ | 3 | CS stretch | 829 | gas | PF | Kakoschke, Boesl, et al., 1985 | |
State: A
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
To = 31404.099 ± 0.007 | gas | A-X | 282 | 432 | Horani, Leach, et al., 1966 | ||
Ochsner, Tsuji, et al., 1985 | |||||||
Kakoschke, Boesl, et al., 1985 | |||||||
Weinkauf and Boesl, 1994 | |||||||
Chen, Hochlaf, et al., 2002 | |||||||
Sommavilla and Merkt, 2004 | |||||||
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ+ | 1 | CO stretch | 2027.7 | gas | TPE PF | Wang, Reutt, et al., 1988 Weinkauf and Boesl, 1994 Chen, Hochlaf, et al., 2002 | |
Π | 2 | Bend (w) | 353.5 ± 2.0 | gas | PE TPE | Wang, Reutt, et al., 1988 Chen, Hochlaf, et al., 2002 Sommavilla and Merkt, 2004 | |
Σ+ | 3 | CS stretch | 802 | gas | PF TPE | Kakoschke, Boesl, et al., 1985 Weinkauf and Boesl, 1994 Chen, Hochlaf, et al., 2002 | |
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
Σ+ | 1 | CO stretch | 2066 | gas | EF PF | Horani, Leach, et al., 1966 Weinkauf and Boesl, 1994 | |
1 | CO stretch | 2066 | gas | TPE | Stimson, Evans, et al., 1998 | ||
1 | CO stretch | 2071.1 | Ne | IR | Lugez, Thompson, et al., 2001 | ||
Π | 2 | Bend | 476 ± 16 | gas | PE | Wang, Reutt, et al., 1988 | |
2 | Bend (κ 2S-) | 830 | gas | TPE | Stimson, Evans, et al., 1998 | ||
2 | Bend (2D3/2) | 792 | gas | TPE | Stimson, Evans, et al., 1998 | ||
2 | Bend (μ 2S+) | 419 | gas | TPE | Stimson, Evans, et al., 1998 | ||
Σ+ | 3 | CS stretch | 697 | gas | PF TPE | Kakoschke, Boesl, et al., 1985 Weinkauf and Boesl, 1994 Stimson, Evans, et al., 1998 | |
3 | CS stretch | 702.5 | Ne | IR | Lugez, Thompson, et al., 2001 | ||
Additional references: Jacox, 1994, page 78; Jacox, 1998, page 185; Jacox, 2003, page 124; Judge and Ogawa, 1969; Eland, 1973; Maier and Thommen, 1980; Erman and Larsson, 1981; Klapstein and Maier, 1981
Notes
o | Energy separation between the v = 0 levels of the excited and electronic ground states. |
References
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Graul S.T. and Bowers, 1991
Graul S.T.; Bowers, M.T.,
Dynamics of Metastable Dissociation and Photodissociation of the Gas Phase Cluster Ion (OCS.C2H2)+,
J. Phys. Chem., 1991, 95, 21, 8328, https://doi.org/10.1021/j100174a055
. [all data]
Orlando, Friedman, et al., 1990
Orlando, T.M.; Friedman, A.; Maier, J.P.,
Photodissociation Spectroscopy of the [OCS C2H2]+ Cluster,
J. Chem. Phys., 1990, 92, 12, 7365, https://doi.org/10.1063/1.458222
. [all data]
Ono, Osuch, et al., 1981
Ono, Y.; Osuch, E.A.; Ng, C.Y.,
Molecular beam photoionization study of OCS, (OCS)2, (OCS)3, and OCS.CS2,
J. Chem. Phys., 1981, 74, 1645. [all data]
Frey, Gotchev, et al., 1978
Frey, R.; Gotchev, B.; Peatman, W.B.; Pollak, H.; Schlag, E.W.,
Photoionization resonance study of the X(2π), A(2π), B(2Σ+) and C(2Σ+) states of CS2+ and COS+,
Int. J. Mass Spectrom. Ion Phys., 1978, 26, 137. [all data]
Wang, Reutt, et al., 1988
Wang, L.; Reutt, J.E.; Lee, Y.T.; Shirley, D.A.,
High resolution UV photoelectron spectroscopy of CO2, COS, and CS2 using supersonic molecular beams,
J. Electron Spectrosc. Relat. Phenom., 1988, 47, 167. [all data]
Chen, Hochlaf, et al., 2002
Chen, W.; Hochlaf, M.; Rosmus, P.; He, G.Z.; Ng, C.Y.,
Vacuum ultraviolet pulsed field ionization-photoelectron study of OCS in the energy range of 15--19 eV,
J. Chem. Phys., 2002, 116, 13, 5612, https://doi.org/10.1063/1.1455622
. [all data]
Kakoschke, Boesl, et al., 1985
Kakoschke, R.; Boesl, U.; Hermann, J.; Schlag, E.W.,
Spectroscopy of molecular ions: Laser-induced fragmentation spectra of COS+, A2Π ← X2Π and B2Σ ← X2Π,
Chem. Phys. Lett., 1985, 119, 6, 467, https://doi.org/10.1016/0009-2614(85)85369-0
. [all data]
Horani, Leach, et al., 1966
Horani, M.; Leach, S.; Rostas, J.; Berthier, G.,
J. Chim. Phys., 1966, 63, 1015. [all data]
Ochsner, Tsuji, et al., 1985
Ochsner, M.; Tsuji, M.; Maier, J.P.,
Laser excitation spectrum of OCS+, A 2II3/2 &_;harr X 2II3/2, in the gas phase,
Chem. Phys. Lett., 1985, 115, 4-5, 373, https://doi.org/10.1016/0009-2614(85)85151-4
. [all data]
Weinkauf and Boesl, 1994
Weinkauf, R.; Boesl, U.,
Laser spectroscopy of molecular ions: The A--X transition in the OCS radical cation,
J. Chem. Phys., 1994, 101, 10, 8482, https://doi.org/10.1063/1.468109
. [all data]
Sommavilla and Merkt, 2004
Sommavilla, M.; Merkt, F.,
Pulsed-Field-Ionization Zero-Kinetic-Energy (PFI-ZEKE) Photoelectron Spectroscopic Study of the Renner-Teller Effect in the Ã,
J. Phys. Chem. A, 2004, 108, 45, 9970, https://doi.org/10.1021/jp0478458
. [all data]
Stimson, Evans, et al., 1998
Stimson, S.; Evans, M.; Ng, C.Y.; Hsu, C.-W.; Heimann, P.; Destandau, C.; Chambaud, G.; Rosmus, P.,
High resolution vacuum ultraviolet pulsed field ionization photoelectron band for OCS[sup +](X [sup 2]Π): An experimental and theoretical study,
J. Chem. Phys., 1998, 108, 15, 6205, https://doi.org/10.1063/1.476027
. [all data]
Lugez, Thompson, et al., 2001
Lugez, C.L.; Thompson, W.E.; Jacox, M.E.,
The infrared spectra of OCS[sup +] and OCS[sup -] trapped in solid neon,
J. Chem. Phys., 2001, 115, 1, 166, https://doi.org/10.1063/1.1370551
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Jacox, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [all data]
Jacox, 2003
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement B,
J. Phys. Chem. Ref. Data, 2003, 32, 1, 1-441, https://doi.org/10.1063/1.1497629
. [all data]
Judge and Ogawa, 1969
Judge, D.L.; Ogawa, M.,
Fluorescence Spectra Resulting from vuv Photon Impact on COS,
J. Chem. Phys., 1969, 51, 5, 2035, https://doi.org/10.1063/1.1672297
. [all data]
Eland, 1973
Eland, J.H.D.,
Predissociation of N2O+ and COS+ ions studied by photoelectronphotoion coincidence spectroscopy,
Int. J. Mass Spectrom. Ion Phys., 1973, 12, 389. [all data]
Maier and Thommen, 1980
Maier, J.P.; Thommen, F.,
Fluorescence quantum yields and cascade-free lifetimes of state selected CO+2, COS+, CS+2 and N2O+ determined by photoelectron---photon coincidence spectroscopy,
Chem. Phys., 1980, 51, 3, 319, https://doi.org/10.1016/0301-0104(80)80106-6
. [all data]
Erman and Larsson, 1981
Erman, P.; Larsson, M.,
Lifetimes of Excited Levels in Some Important Ion-Molecules, Part III: CS,
Phys. Scripta, 1981, 23, 6, 1052, https://doi.org/10.1088/0031-8949/23/6/005
. [all data]
Klapstein and Maier, 1981
Klapstein, D.; Maier, J.P.,
Lifetimes of N2O+(Ã2Σ+) and COS+(Ã2Π) in selected vibronic levels,
Chem. Phys. Lett., 1981, 83, 3, 590, https://doi.org/10.1016/0009-2614(81)85529-7
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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