Cyano radical


Gas 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.

Quantity Value Units Method Reference Comment
Δfgas104.00kcal/molReviewChase, 1998Data last reviewed in June, 1969
Quantity Value Units Method Reference Comment
gas,1 bar48.432cal/mol*KReviewChase, 1998Data last reviewed in June, 1969

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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View table.

Temperature (K) 298. to 1100.1100. to 6000.
A 6.2927305.023091
B 0.7941452.335230
C 2.053271-0.244415
D -1.1652710.003292
E 0.0255871.085430
F 102.1590104.1830
G 55.8744055.61429
H 104.0000104.0000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1969 Data last reviewed in June, 1969

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

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

View reactions leading to CN+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)13.598eVN/AN/AL
Quantity Value Units Method Reference Comment
Δf(+) ion419. ± 1.kcal/molN/AN/A 

Electron affinity determinations

EA (eV) Method Reference Comment
3.8620 ± 0.0050LPESBradforth, Kim, et al., 1993B
3.835 ± 0.091D-EABartmess, Scott, et al., 1979value altered from reference due to change in acidity scale; B
3.820 ± 0.020PDBerkowitz, Chupka, et al., 1969B
5.64 ± 0.20R-ADeCorpo, Bafus, et al., 1971From MeCN; B
3.16124SIChamberlin, Page, et al., 1974The Magnetron method, lacking mass analysis, is not considered reliable.; B
2.78398SIPage, 1972The Magnetron method, lacking mass analysis, is not considered reliable.; B
2.800 ± 0.020SINapper and Page, 1963New DH(H-CN) used The Magnetron method, lacking mass analysis, is not considered reliable.; B

Ionization energy determinations

IE (eV) Method Reference Comment
14.17EVALHuber and Herzberg, 1979LLK
14.03 ± 0.02DERBerkowitz, Chupka, et al., 1969RDSH
≤14.20 ± 0.02DERDibeler and Liston, 1967RDSH
14.2 ± 0.3EIBerkowitz, 1962RDSH
14.5 ± 0.2EIDibeler, Reese, et al., 1961RDSH

Anion protonation reactions

CN- + Hydrogen cation = Hydrogen cyanide

By formula: CN- + H+ = CHN

Quantity Value Units Method Reference Comment
Δr349.8 ± 1.0kcal/molCIDTAkin and Ervin, 2006gas phase; B
Δr350.50 ± 0.17kcal/molD-EABradforth, Kim, et al., 1993gas phase; B
Δr351.1 ± 2.1kcal/molG+TSBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B
Quantity Value Units Method Reference Comment
Δr342.5 ± 1.1kcal/molH-TSAkin and Ervin, 2006gas phase; B
Δr343.17 ± 0.27kcal/molH-TSBradforth, Kim, et al., 1993gas phase; B
Δr343.8 ± 2.0kcal/molIMREBartmess, Scott, et al., 1979gas phase; value altered from reference due to change in acidity scale; B

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Notes

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

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Bradforth, Kim, et al., 1993
Bradforth, S.E.; Kim, E.H.; Arnold, D.W.; Neumark, D.M., Photoelectron Spectroscopy of CN-, NCO-, and NCS-, J. Chem. Phys., 1993, 98, 2, 800, https://doi.org/10.1063/1.464244 . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Berkowitz, Chupka, et al., 1969
Berkowitz, J.; Chupka, W.A.; Walter, T.A., Photoionization of HCN: the electron affinity and heat of formation of CN, J. Chem. Phys., 1969, 50, 1497. [all data]

DeCorpo, Bafus, et al., 1971
DeCorpo, J.J.; Bafus, D.A.; Franklin, J.L., Correlation of excess energies of dissociative electron attachment processes with the translational energies of their products, J. Chem. Phys., 1971, 54, 1592. [all data]

Chamberlin, Page, et al., 1974
Chamberlin, A.T.; Page, F.M.; Painter, M.R., A Study of the Negative Ions Produced during Surface Ionization on Hot Metal Filaments, Adv. Mass Spectrom., 1974, 6, 311. [all data]

Page, 1972
Page, F.M., Experimental determination of the electron affinities of inorganic radicals, Adv. Chem. Ser., 1972, 36, 68. [all data]

Napper and Page, 1963
Napper, R.; Page, F.M., Determination of Electron Affinities. Part 5. Cyanide and Thiocyanate Radicals, Trans. Farad. Soc., 1963, 59, 1086, https://doi.org/10.1039/tf9635901086 . [all data]

Huber and Herzberg, 1979
Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979, ,1. [all data]

Dibeler and Liston, 1967
Dibeler, V.H.; Liston, S.K., Mass-spectrometric study of photoionization. VIII.Dicyanogen and the cyanogen halides, J. Chem. Phys., 1967, 47, 4548. [all data]

Berkowitz, 1962
Berkowitz, J., Heat of formation of the CN radical, J. Chem. Phys., 1962, 36, 2533. [all data]

Dibeler, Reese, et al., 1961
Dibeler, V.H.; Reese, R.M.; Franklin, J.L., Mass spectrometric study of cyanogen and cyanoacetylenes, J. Am. Chem. Soc., 1961, 83, 1813. [all data]

Akin and Ervin, 2006
Akin, F.A.; Ervin, K.M., Collision-induced dissociation of HS-(HCN): Unsymmetrical hydrogen bonding in a proton-bound dimer anion, J. Phys. Chem. A, 2006, 110, 4, 1342-1349, https://doi.org/10.1021/jp0540454 . [all data]


Notes

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