Dimethyl methylphosphonate

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Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
10.00PEZverev and Villem, 1980LLK
10.00PEZverev, Villem, et al., 1979LLK
10.71PEChattorpadhyay, Findley, et al., 1981Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO+18.9 ± 0.8?EIBafus, Gallegos, et al., 1966RDSH
CH3+16.8 ± 0.1?EIBafus, Gallegos, et al., 1966RDSH
CH3O+13.8 ± 0.2?EIBafus, Gallegos, et al., 1966RDSH
CH4OP+16.9 ± 0.2?EIBafus, Gallegos, et al., 1966RDSH
CH4O2P+13.4 ± 0.3?EIBafus, Gallegos, et al., 1966RDSH
CH5O2P+11.9?EIBafus, Gallegos, et al., 1966RDSH
C2H5O+16.3 ± 0.1?EIBafus, Gallegos, et al., 1966RDSH
C2H6O2P+12.5 ± 0.1?EIBafus, Gallegos, et al., 1966RDSH
C2H6O3P+13.3 ± 0.3CH3EIBafus, Gallegos, et al., 1966RDSH
C2H7O2P+11.5 ± 0.2CH2OEIBafus, Gallegos, et al., 1966RDSH
PO+19.4 ± 0.3?EIBafus, Gallegos, et al., 1966RDSH

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-9774
NIST MS number 233393

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Gas Chromatography

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryMethyl Silicone100.839.Huber, Kenndler, et al., 1993H2; Column length: 5. m; Phase thickness: 2.65 μm
CapillaryMethyl Silicone120.839.Huber, Kenndler, et al., 1993H2; Column length: 5. m; Phase thickness: 2.65 μm
CapillaryMethyl Silicone80.840.Huber, Kenndler, et al., 1993H2; Column length: 5. m; Phase thickness: 2.65 μm

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
CapillaryPEG-20M130.1493.Huber, Kenndler, et al., 1993Column length: 10. m; Phase thickness: 1.33 μm
CapillaryPEG-20M150.1501.Huber, Kenndler, et al., 1993Column length: 10. m; Phase thickness: 1.33 μm
CapillaryPEG-20M130.1493.6Huber, Kenndler, et al., 1993Column length: 10. m; Phase thickness: 1.33 μm

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySE-54881.Kostiainen, 200025. m/0.32 mm/0.25 μm, He, 40. C @ 1. min, 10. K/min, 280. C @ 10. min

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillarySE-54880.9Söderström, Ketola, et al., 199525. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 10. K/min, 250. C @ 10. min

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryPolydimethyl siloxane915.Staples, 2006Program: not specified
CapillaryDB-5 MS868.Tsunoda, 200530. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (2 min) 8 0C/min -> 125 0C 15 0C/min -> 280 0C
CapillaryDB-5 MS876.Tsunoda, 200530. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (2 min) 8 0C/min -> 125 0C 15 0C/min -> 280 0C
Capillary5 % Phenyl methyl siloxane881.OPCW, 1997Program: not specified

References

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Zverev and Villem, 1980
Zverev, V.V.; Villem, Y.Y., Ionizationp potentials of phosphoryl compounds, J. Struct. Chem., 1980, 21, 22, In original 30. [all data]

Zverev, Villem, et al., 1979
Zverev, V.V.; Villem, Ya.Ya.; Bel'skii, V.E.; Kitaev, Yu.P., The photoelectronic spectra of phosphoryl compounds, Izv. Akad. Nauk SSSR, Ser. Khim., 1979, 1, 84. [all data]

Chattorpadhyay, Findley, et al., 1981
Chattorpadhyay, S.; Findley, G.L.; McGlynn, S.P., Photoelectron spectroscopy of phosphites and phosphates, J. Electron Spectrosc. Relat. Phenom., 1981, 24, 27. [all data]

Bafus, Gallegos, et al., 1966
Bafus, D.A.; Gallegos, E.J.; Kiser, R.W., An electron impact investigation of some alkyl phosphate esters, J. Phys. Chem., 1966, 70, 2614. [all data]

Huber, Kenndler, et al., 1993
Huber, J.F.K.; Kenndler, E.; Reich, G.; Hack, W.; Wolf, J., Optimal Selection of Gas Chromatographic Columns for the Analytical Control of Chemical Warfare Agents by Application of Information Theory to Retention Data, Anal. Chem., 1993, 65, 20, 2903-2906, https://doi.org/10.1021/ac00068a031 . [all data]

Kostiainen, 2000
Kostiainen, O., Gas Chromatography in Screening of Chemicals Related to the Chemical Weapons Convention in Encyclopedia of Analytical Chemistry, Meyers, R.A., ed(s)., John Wiley Sons Ltd, Chichester, 2000, 963-979. [all data]

Söderström, Ketola, et al., 1995
Söderström, M.T.; Ketola, R.A.; Kostiainen, O., Identification of some nerve agent homologues and dialkyl methylphosphonates by gas chromatography/Fourier transform infrared spectrometry. Part II. Spectral search with the help of retention indices, Fresenius J. Anal. Chem., 1995, 352, 6, 550-556, https://doi.org/10.1007/BF00323072 . [all data]

Staples, 2006
Staples, E.J., Creating a compound library for chemical warfare agents for the ZNose, 2006, retrieved from http://www.estcal.com/TechPapers/Security/CWA-Libraries.pdf. [all data]

Tsunoda, 2005
Tsunoda, N., The sarin incidents in Japan and mass spectrometry, J. MAss Spectrom. Soc. Japan, 2005, 53, 3, 157-163, https://doi.org/10.5702/massspec.53.157 . [all data]

OPCW, 1997
OPCW, Conference of the States Parties C-I/DEC.64 (22 May 1997), 1997, retrieved from http://www.opcw.org/html/global/cseries/csp1/CIDEC64.html. [all data]


Notes

Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References