Methylidyne, cyano-

Formula: C₂N
Molecular weight: 38.0281
IUPAC Standard InChI: InChI=1S/C2N/c1-2-3
IUPAC Standard InChIKey: NHZXVPVTAJVRIV-UHFFFAOYSA-N
CAS Registry Number: 4120-02-9
Chemical structure:
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Gas phase ion energetics data

Go To: Top, Vibrational and/or electronic energy levels, References, Notes

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to C₂N⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_{(+) ion}	410.	kcal/mol	N/A	N/A

Electron affinity determinations

EA (eV)	Method	Reference	Comment
2.74890 ± 0.00010	LPES	Garand, Yacovitch, et al., 2009	Triplet anion ground state; B
>2.30 ± 0.20	EIAE	Tsuda, Yokohata, et al., 1971	From MeCN. Computations indicate EA ca. 66 kcal/mol, HOF(A-) ca. 98 kcal/mol; B

Ionization energy determinations

IE (eV)	Method	Reference	Comment
12.0	DER	Lias, Bartmess, et al., 1988	LL
~13.	EI	Dibeler, Reese, et al., 1961	RDSH

Vibrational and/or electronic energy levels

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

Data compiled by: Marilyn E. Jacox

State: ?

Energy (cm^-1)	Med.	References


T_d = 29100	gas	Merer and Travis, 1965

State: D

Energy (cm^-1)	Med.	References


T_o = 27322 ± 15	Ne	Wyss, Riaplov, et al., 2001

State: C

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 26661.80	gas	C-X	310	375	Merer and Travis, 1965
					Kohguchi, Ohshima, et al., 1997
T_o = 26645 ± 15	Ne				Wyss, Riaplov, et al., 2001

Vib. sym.	No.	Approximate type of mode	cm^-1	Med.	Method	References


Σ⁺	1	Stretch	1859.20	gas	AB	Merer and Travis, 1965 Kohguchi, Ohshima, et al., 1997
Π	2	Bend	469.9 ± 0.4	gas	AB LF	Merer and Travis, 1965 Kohguchi, Ohshima, et al., 1997
Σ⁺	3	Stretch	1257 ± 4	gas	LF	Kohguchi, Ohshima, et al., 1997

State: B

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 22413.25	gas	B-X	442	446	Merer and Travis, 1965
T_o = 22430 ± 10	Ne				Wyss, Riaplov, et al., 2001
T_o = 22180	Ar				Jacox, 1978

Vib. sym.	No.	Approximate type of mode	cm^-1		Med.	Method	References


Π	2	Bend	445	T	gas	AB	Merer and Travis, 1965

State: A

Energy (cm^-1)	Med.	Transition	λ_min (nm)	λ_max (nm)	References


T_o = 21259.203	gas	A-X	376	471	Merer and Travis, 1965
					Kakimoto and Kasuya, 1982
					Oliphant, Lee, et al., 1990
T_o = 21248 ± 10	Ne				Wyss, Riaplov, et al., 2001
T_o = 21377	Ar	A-X	373	550	Bondybey and English, 1978
					Jacox, 1978

Vib. sym.	No.	Approximate type of mode	cm^-1	Med.	Method	References


Σ⁺	1	Stretch	1770.77	gas	AB	Merer and Travis, 1965
	1	Stretch	1732 ± 2	Ar	LF	Bondybey and English, 1978
Π	2	Bend (w)	457.1	gas	AB LF	Merer and Travis, 1965 Kohguchi, Ohshima, et al., 1997
Σ⁺	3	Stretch	1241.64	gas	AB	Merer and Travis, 1965
	3	Stretch	1225 ± 2	Ar	LF	Bondybey and English, 1978

State: a

Energy (cm^-1)	Med.	References


T_o = 8413 ± 7	gas	Garand, Yacovitch, et al., 2009

Vib. sym.	No.	Approximate type of mode	cm^-1	Med.	Method	References


Σ⁺	3	Stretch	1170 ± 7	gas	PE	Garand, Yacovitch, et al., 2009

State: X

Vib. sym.	No.	Approximate type of mode	cm^-1	Med.	Method	References


Σ⁺	1	Stretch	1923.25	gas	LF EM	Hakuta and Uehara, 1983 Brazier, O'Brien, et al., 1987 Oliphant, Lee, et al., 1990
	1	Stretch	1923.25	gas	DL LMR	Feher, Salud, et al., 1991 Feher, Salud, et al., 1991, 2 Gillett and Brown, 1994
	1	Stretch	1717	Ar	LF	Bondybey and English, 1978
Π	2	Bend (w)	319.78	gas	AB LF	Merer and Travis, 1965 Brazier, O'Brien, et al., 1987 Allen, Evenson, et al., 2000
	2	Bend (μ 2S+)	179.60	gas	LF	Kohguchi, Ohshima, et al., 1997 Allen, Evenson, et al., 2000
Σ⁺	3	Stretch	1050.76	gas	LF EM	Hakuta and Uehara, 1983 Brazier, O'Brien, et al., 1987 Oliphant, Lee, et al., 1990
	3	Stretch	1066	Ar	LF	Bondybey and English, 1978

Additional references: Jacox, 1994, page 68; Jacox, 1998, page 173; Jacox, 2003, page 99; Kawaguchi, Suzuki, et al., 1984; Suzuki, Saito, et al., 1985; Ohshima and Endo, 1995

Notes

Tentative assignment or approximate value

Energy separation between the v = 0 levels of the excited and electronic ground states.

Photodissociation threshold

References

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, Notes

Garand, Yacovitch, et al., 2009
Garand, E.; Yacovitch, T.I.; Neumark, D.M., Slow photoelectron velocity-map imaging spectroscopy of C2N-, C4N-, and C6N-, J. Chem. Phys., 2009, 130, 6, 064304, https://doi.org/10.1063/1.3076320 . [all data]

Tsuda, Yokohata, et al., 1971
Tsuda, S.; Yokohata, A.; Umaba, T., Measurement of negative ions formed by electron impact. VIII. Ionization efficiency curves of negative ions from methyl and ethyl cyanides, Bull. Chem. Soc. Jpn., 1971, 44, 1486. [all data]

Lias, Bartmess, et al., 1988
Lias, S.G.; Bartmess, J.E.; Liebman, J.F.; Holmes, J.L.; Levin, R.D.; Mallard, W.G., Gas-phase ion and neutral thermochemistry, J. Phys. Chem. Ref. Data, Suppl. 1, 1988, 17, 1-861. [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]

Merer and Travis, 1965
Merer, A.J.; Travis, D.N., ABSORPTION SPECTRUM OF THE CCN RADICAL, Can. J. Phys., 1965, 43, 10, 1795, https://doi.org/10.1139/p65-173 . [all data]

Wyss, Riaplov, et al., 2001
Wyss, M.; Riaplov, E.; Maier, J.P.; Hochlaf, M.; Rosmus, P., The A1Π(u)←X1Σ Electronic Transition of CCN+ and CNC+, Helv. Chim. Acta, 2001, 84, 6, 1432, https://doi.org/10.1002/1522-2675(20010613)84:6<1432::AID-HLCA1432>3.0.CO;2-S . [all data]

Kohguchi, Ohshima, et al., 1997
Kohguchi, H.; Ohshima, Y.; Endo, Y., Laser-induced fluorescence spectroscopy of the C [sup 2]Σ[sup +]-X [sup 2]Π[sub 1/2] band system of jet-cooled CCN radical, J. Chem. Phys., 1997, 106, 13, 5429, https://doi.org/10.1063/1.473568 . [all data]

Jacox, 1978
Jacox, M.E., Matrix isolation study of the vacuum ultraviolet photolysis of methyl cyanide, J. Mol. Spectrosc., 1978, 71, 1-3, 369, https://doi.org/10.1016/0022-2852(78)90091-7 . [all data]

Kakimoto and Kasuya, 1982
Kakimoto, M.; Kasuya, T., Doppler-limited dye laser excitation spectroscopy of the CCN radical, J. Mol. Spectrosc., 1982, 94, 2, 380, https://doi.org/10.1016/0022-2852(82)90014-5 . [all data]

Oliphant, Lee, et al., 1990
Oliphant, N.; Lee, A.; Bernath, P.F.; Brazier, C.R., Fourier transform emission spectroscopy of the jet-cooled CCN free radical, J. Chem. Phys., 1990, 92, 4, 2244, https://doi.org/10.1063/1.458016 . [all data]

Bondybey and English, 1978
Bondybey, V.E.; English, J.H., Emission and excitation spectra of the CCN free radical in solid argon, J. Mol. Spectrosc., 1978, 70, 2, 236, https://doi.org/10.1016/0022-2852(78)90158-3 . [all data]

Hakuta and Uehara, 1983
Hakuta, K.; Uehara, H., Laser-induced fluorescence spectrum of the CCN radical with an Ar+ laser, J. Chem. Phys., 1983, 78, 11, 6484, https://doi.org/10.1063/1.444687 . [all data]

Brazier, O'Brien, et al., 1987
Brazier, C.R.; O'Brien, L.C.; Bernath, P.F., Fourier transform detection of laser-induced fluorescence from the CCN free radical, J. Chem. Phys., 1987, 86, 6, 3078, https://doi.org/10.1063/1.452018 . [all data]

Feher, Salud, et al., 1991
Feher, M.; Salud, C.; Maier, J.P., The infrared laser spectrum of the ν1 band of CCN, J. Mol. Spectrosc., 1991, 145, 2, 246, https://doi.org/10.1016/0022-2852(91)90111-M . [all data]

Feher, Salud, et al., 1991, 2
Feher, M.; Salud, C.; Maier, J.P.; Merer, A.J., On the J-assignment of the infrared laser spectrum of CCN, J. Mol. Spectrosc., 1991, 150, 1, 280, https://doi.org/10.1016/0022-2852(91)90211-R . [all data]

Gillett and Brown, 1994
Gillett, D.A.; Brown, J.M., The laser magnetic resonance spectrum of the ν, Can. J. Phys., 1994, 72, 11-12, 2002, https://doi.org/10.1139/p94-131 . [all data]

Allen, Evenson, et al., 2000
Allen, M.D.; Evenson, K.M.; Gillett, D.A.; Brown, J.M., Far-Infrared Laser Magnetic Resonance Spectroscopic Study of the ν2 Bending Fundamental of the CCN Radical in Its X2Πr State, J. Mol. Spectrosc., 2000, 201, 1, 18, https://doi.org/10.1006/jmsp.2000.8075 . [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]

Kawaguchi, Suzuki, et al., 1984
Kawaguchi, K.; Suzuki, T.; Saito, S.; Hirota, E.; Kasuya, T., Dye laser excitation spectroscopy of the CCN radical: The and (0,2,0)-(0,2,0) bands, J. Mol. Spectrosc., 1984, 106, 2, 320, https://doi.org/10.1016/0022-2852(84)90162-0 . [all data]

Suzuki, Saito, et al., 1985
Suzuki, T.; Saito, S.; Hirota, E., Hyperfine coupling constants of the CCN radical in the A 2Δ(000) state by microwave--optical double resonance spectroscopy, J. Chem. Phys., 1985, 83, 12, 6154, https://doi.org/10.1063/1.449610 . [all data]

Ohshima and Endo, 1995
Ohshima, Y.; Endo, Y., Fourier-Transform Microwave Spectroscopy of CCN (X2Π1/2), J. Mol. Spectrosc., 1995, 172, 1, 225, https://doi.org/10.1006/jmsp.1995.1170 . [all data]

Notes

Go To: Top, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References

Symbols used in this document:

EA Electron affinity
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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