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Cytosine

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-14.2 ± 2.4kcal/molCmSabbah, 1980 

Condensed phase thermochemistry 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafsolid-52.89 ± 0.55kcal/molCcbWilson, Watson, et al., 1979ALS
Deltafsolid-56.27 ± 0.11kcal/molCcrSabbah, Nabavian, et al., 1977ALS
Quantity Value Units Method Reference Comment
Deltacsolid-494.10 ± 0.48kcal/molCcbWilson, Watson, et al., 1979ALS
Deltacsolid-490.722 ± 0.088kcal/molCcrSabbah, Nabavian, et al., 1977ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
31.69298.Kilday, 1978DH

Phase change 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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltasub37.05 ± 0.72kcal/molN/ABurkinshaw and Mortimer, 1984AC
Deltasub39.9 ± 2.4kcal/molTEFerro, Bencivenni, et al., 1980AC
Deltasub42.1 ± 2.4kcal/molCSabbah, 1980ALS
Deltasub42.1 ± 2.4kcal/molCSabbah, 1980Based on data from 450. - 470. K.; AC

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
40.1 ± 0.1365.QR,MEde Barros, Medina, et al., 2006Based on data from 320. - 410. K.; AC
36.3 ± 0.2505. - 525.GSZielenkiewicz, Wszelaka-Rylik, et al., 1998AC
35.18 ± 0.62453.MEBurkinshaw and Mortimer, 1984Based on data from 423. - 483. K.; AC

Reaction thermochemistry 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

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

C4H6N3O+ + Cytosine = (C4H6N3O+ bullet Cytosine)

By formula: C4H6N3O+ + C4H5N3O = (C4H6N3O+ bullet C4H5N3O)

Quantity Value Units Method Reference Comment
Deltar38.3kcal/molPHPMSMeot-Ner (Mautner), 1979gas phase; M
Quantity Value Units Method Reference Comment
Deltar37.cal/mol*KPHPMSMeot-Ner (Mautner), 1979gas phase; M

Sodium ion (1+) + Cytosine = (Sodium ion (1+) bullet Cytosine)

By formula: Na+ + C4H5N3O = (Na+ bullet C4H5N3O)

Quantity Value Units Method Reference Comment
Deltar42.3kcal/molCIDCCerda and Wesdemiotis, 1996RCD

Potassium ion (1+) + Cytosine = (Potassium ion (1+) bullet Cytosine)

By formula: K+ + C4H5N3O = (K+ bullet C4H5N3O)

Quantity Value Units Method Reference Comment
Deltar26.3kcal/molCIDCCerda and Wesdemiotis, 1996RCD

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

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

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

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
B - John E. Bartmess

Quantity Value Units Method Reference Comment
Proton affinity (review)227.0kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity219.kcal/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Method Reference Comment
2.34 ± 0.10LPESLi, Bowen, et al., 2007valence state of rare tautomer(H from NH2 to C5), inferred based on calculations; B
0.2300 ± 0.0080LPESSchiedt, Weinkauf, et al., 1998amino-oxo form. Dipole bound state; B
0.0850 ± 0.0080LPESSchiedt, Weinkauf, et al., 1998amino-hydroxy form. Dipole bound state; B

Ionization energy determinations

IE (eV) Method Reference Comment
8.45PEDougherty, Younathan, et al., 1978LLK
9.0 ± 0.1EIVerkin, Sukodub, et al., 1976LLK
8.9 ± 0.2EILifschitz, Bergmann, et al., 1967RDSH
8.94 ± 0.03PEHush and Cheung, 1975Vertical value; LLK

Ion clustering 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

C4H6N3O+ + Cytosine = (C4H6N3O+ bullet Cytosine)

By formula: C4H6N3O+ + C4H5N3O = (C4H6N3O+ bullet C4H5N3O)

Quantity Value Units Method Reference Comment
Deltar38.3kcal/molPHPMSMeot-Ner (Mautner), 1979gas phase; M
Quantity Value Units Method Reference Comment
Deltar37.cal/mol*KPHPMSMeot-Ner (Mautner), 1979gas phase; M

Potassium ion (1+) + Cytosine = (Potassium ion (1+) bullet Cytosine)

By formula: K+ + C4H5N3O = (K+ bullet C4H5N3O)

Quantity Value Units Method Reference Comment
Deltar26.3kcal/molCIDCCerda and Wesdemiotis, 1996RCD

Sodium ion (1+) + Cytosine = (Sodium ion (1+) bullet Cytosine)

By formula: Na+ + C4H5N3O = (Na+ bullet C4H5N3O)

Quantity Value Units Method Reference Comment
Deltar42.3kcal/molCIDCCerda and Wesdemiotis, 1996RCD

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes

Data compiled by: Coblentz Society, Inc.


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, UV/Visible spectrum, 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

Spectrum

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Mass 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-8151
NIST MS number 228093

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


UV/Visible spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, 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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source (ed., 1961
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 19713
Instrument Beckman DU
Melting point 320-325 (dec)

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes

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

Sabbah, 1980
Sabbah, R., Thermodynamics of nitrogen compounds. V. Thermochemical study of cytosine, Thermochim. Acta, 1980, 35, 73-77. [all data]

Wilson, Watson, et al., 1979
Wilson, S.R.; Watson, I.D.; Malcolm, G.N., Enthalpies of formation of solid cytosine, L-histidine, and uracil, J. Chem. Thermodyn., 1979, 11, 911-912. [all data]

Sabbah, Nabavian, et al., 1977
Sabbah, R.; Nabavian, M.; Laffitte, M., Sur l'enthalpie de formation de la cytosine a 1'etat solide., C. R. Acad. Sci. Paris, 1977, 284, 953-954. [all data]

Kilday, 1978
Kilday, M.V., Enthalpies of solution of the nucleic acid bases. 3. Cytosine in water, J. Res., 1978, NBS 83, 539-546. [all data]

Burkinshaw and Mortimer, 1984
Burkinshaw, Philip M.; Mortimer, Colin T., Enthalpies of sublimation of transition metal complexes, J. Chem. Soc., Dalton Trans., 1984, 1, 75, https://doi.org/10.1039/dt9840000075 . [all data]

Ferro, Bencivenni, et al., 1980
Ferro, D.; Bencivenni, L.; Teghil, R.; Mastromarino, R., Vapour pressures and sublimation enthalpies of thymine and cytosine, Thermochimica Acta, 1980, 42, 1, 75-83, https://doi.org/10.1016/0040-6031(80)87117-6 . [all data]

de Barros, Medina, et al., 2006
de Barros, A.L.F.; Medina, A.; Zappa, F.; Pereira, J.M.; Bessa, E.; Martins, M.H.P.; Coelho, L.F.S.; Wolff, W.; de Castro Faria, N.V., A simple experimental arrangement for measuring the vapour pressures and sublimation enthalpies by the Knudsen effusion method: Application to DNA and RNA bases, Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 2006, 560, 2, 219-223, https://doi.org/10.1016/j.nima.2006.01.026 . [all data]

Zielenkiewicz, Wszelaka-Rylik, et al., 1998
Zielenkiewicz, A.; Wszelaka-Rylik, M.; Poznanski, J.; Zielenkiewicz, W., Journal of Solution Chemistry, 1998, 27, 3, 235-243, https://doi.org/10.1023/A:1022636218154 . [all data]

Meot-Ner (Mautner), 1979
Meot-Ner (Mautner), M., Ion Thermochemistry of Low Volatility Compounds in the Gas Phase. II. Intrinsic Basicities and Hydrogen Bonded Dimers of Nitrogen Heterocyclics and Nucleic Bases, J. Am. Chem. Soc., 1979, 101, 9, 2396, https://doi.org/10.1021/ja00503a027 . [all data]

Cerda and Wesdemiotis, 1996
Cerda, B.A.; Wesdemiotis, C., PAs of Peptides, J. Am. Chem. Soc., 1996, 118, 11884. [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Li, Bowen, et al., 2007
Li, X.; Bowen, K.H.; Haranczyk, M.; Bachorz, R.A.; Mazurkiewicz, K.; Rak, J.; Gutowski, M., Photoelectron spectroscopy of adiabatically bound valence anions of rare tautomers of the nucleic acid bases, J. Chem. Phys., 2007, 127, 17, 174309, https://doi.org/10.1063/1.2795719 . [all data]

Schiedt, Weinkauf, et al., 1998
Schiedt, J.; Weinkauf, R.; Neumark, D.M.; Schlag, E.W., Anion spectroscopy of uracil, thymine and the amino-oxo and amino-hydroxy tautomers of cytosine and their water clusters, Chem. Phys., 1998, 239, 1-3, 511-524, https://doi.org/10.1016/S0301-0104(98)00361-9 . [all data]

Dougherty, Younathan, et al., 1978
Dougherty, D.; Younathan, E.S.; Voll, R.; Abdulnur, S.; McGlynn, S.P., Photoelectron spectroscopy of some biological molecules, J. Electron Spectrosc. Relat. Phenom., 1978, 13, 379. [all data]

Verkin, Sukodub, et al., 1976
Verkin, B.I.; Sukodub, L.F.; Yanson, I.K., Ionization potentials of nitrogenous bases of of nucleic acids, Dokl. Akad. Nauk SSSR, 1976, 228, 1452. [all data]

Lifschitz, Bergmann, et al., 1967
Lifschitz, C.; Bergmann, E.D.; Pullman, B., The ionization potentials of biological purines and pyrimidines, Tetrahedron Lett., 1967, 4583. [all data]

Hush and Cheung, 1975
Hush, N.S.; Cheung, A.S., Ionization potentials and donor properties of nucleic acid bases and related compounds, Chem. Phys. Lett., 1975, 34, 11. [all data]

(ed., 1961
(ed., Lang L., Absorption spectra in the ultraviolet and visible region, 1961, 1, 309. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References