Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Adenine

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


Reaction thermochemistry data

Go To: Top, References, Notes

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:
B - John E. Bartmess
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

adeninide anion + Hydrogen cation = Adenine

By formula: C5H4N5- + H+ = C5H5N5

Quantity Value Units Method Reference Comment
Deltar1402. ± 9.2kJ/molG+TSSharma and Lee, 2002gas phase; Acidity at N-9(imidazole N); B
Quantity Value Units Method Reference Comment
Deltar1372. ± 8.4kJ/molIMRBSharma and Lee, 2002gas phase; Acidity at N-9(imidazole N); B
Deltar1441. ± 17.kJ/molIMRBSharma and Lee, 2002gas phase; Less acidic N-10 site(aniline); B

C5H6N5+ + Adenine = (C5H6N5+ bullet Adenine)

By formula: C5H6N5+ + C5H5N5 = (C5H6N5+ bullet C5H5N5)

Quantity Value Units Method Reference Comment
Deltar127.kJ/molPHPMSMeot-Ner (Mautner), 1979gas phase; M
Quantity Value Units Method Reference Comment
Deltar160.J/mol*KPHPMSMeot-Ner (Mautner), 1979gas phase; M

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

By formula: Na+ + C5H5N5 = (Na+ bullet C5H5N5)

Quantity Value Units Method Reference Comment
Deltar140. ± 4.2kJ/molCIDTRodgers and Armentrout, 2000RCD
Deltar172.kJ/molCIDCCerda and Wesdemiotis, 1996RCD

Titanium ion (1+) + Adenine = (Titanium ion (1+) bullet Adenine)

By formula: Ti+ + C5H5N5 = (Ti+ bullet C5H5N5)

Quantity Value Units Method Reference Comment
Deltar<=339. ± 15.kJ/molCIDTRodgers and Armentrout, 2002RCD

Vanadium ion (1+) + Adenine = (Vanadium ion (1+) bullet Adenine)

By formula: V+ + C5H5N5 = (V+ bullet C5H5N5)

Quantity Value Units Method Reference Comment
Deltar<=265. ± 10.kJ/molCIDTRodgers and Armentrout, 2002RCD

Zinc ion (1+) + Adenine = (Zinc ion (1+) bullet Adenine)

By formula: Zn+ + C5H5N5 = (Zn+ bullet C5H5N5)

Quantity Value Units Method Reference Comment
Deltar>=238. ± 5.4kJ/molCIDTRodgers and Armentrout, 2002RCD

Iron ion (1+) + Adenine = (Iron ion (1+) bullet Adenine)

By formula: Fe+ + C5H5N5 = (Fe+ bullet C5H5N5)

Quantity Value Units Method Reference Comment
Deltar259. ± 8.8kJ/molCIDTRodgers and Armentrout, 2002RCD

Chromium ion (1+) + Adenine = (Chromium ion (1+) bullet Adenine)

By formula: Cr+ + C5H5N5 = (Cr+ bullet C5H5N5)

Quantity Value Units Method Reference Comment
Deltar231. ± 7.5kJ/molCIDTRodgers and Armentrout, 2002RCD

Manganese ion (1+) + Adenine = (Manganese ion (1+) bullet Adenine)

By formula: Mn+ + C5H5N5 = (Mn+ bullet C5H5N5)

Quantity Value Units Method Reference Comment
Deltar216. ± 7.5kJ/molCIDTRodgers and Armentrout, 2002RCD

Nickel ion (1+) + Adenine = (Nickel ion (1+) bullet Adenine)

By formula: Ni+ + C5H5N5 = (Ni+ bullet C5H5N5)

Quantity Value Units Method Reference Comment
Deltar297. ± 9.6kJ/molCIDTRodgers and Armentrout, 2002RCD

Cobalt ion (1+) + Adenine = (Cobalt ion (1+) bullet Adenine)

By formula: Co+ + C5H5N5 = (Co+ bullet C5H5N5)

Quantity Value Units Method Reference Comment
Deltar293. ± 10.kJ/molCIDTRodgers and Armentrout, 2002RCD

Copper ion (1+) + Adenine = (Copper ion (1+) bullet Adenine)

By formula: Cu+ + C5H5N5 = (Cu+ bullet C5H5N5)

Quantity Value Units Method Reference Comment
Deltar294. ± 11.kJ/molCIDTRodgers and Armentrout, 2002RCD

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

By formula: K+ + C5H5N5 = (K+ bullet C5H5N5)

Quantity Value Units Method Reference Comment
Deltar106.kJ/molCIDCCerda and Wesdemiotis, 1996RCD

References

Go To: Top, Reaction thermochemistry data, Notes

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

Sharma and Lee, 2002
Sharma, S.; Lee, J.K., Acidity of adenine and adenine derivatives and biological implications. A computational and experimental gas-phase study, J. Org. Chem., 2002, 67, 24, 8360-8365, https://doi.org/10.1021/jo0204303 . [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]

Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Interactions of Nucleic Acid Bases (Uracil, Thymine, and Adenine) with Alkali Metal Ions. Threshold Collision-Induced Dissociation and Theoretical Studies, J. Am. Chem. Soc., 2000, 121, 35, 8548, https://doi.org/10.1021/ja001638d . [all data]

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

Rodgers and Armentrout, 2002
Rodgers, M.T.; Armentrout, P.B., Influence of d orbital occupation on the binding of metal ions to adenine, J. Am. Chem. Soc., 2002, 124, 11, 2678, https://doi.org/10.1021/ja011278+ . [all data]


Notes

Go To: Top, Reaction thermochemistry data, References