Cyanogen cation

Formula: CN⁺
Molecular weight: 26.0169
IUPAC Standard InChI: InChI=1S/CN/c1-2/q+1
IUPAC Standard InChIKey: NKCCODPFBDGPRJ-UHFFFAOYSA-N
CAS Registry Number: 12539-57-0
Chemical structure:
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Constants of diatomic molecules

Data compiled by: Klaus P. Huber and Gerhard H. Herzberg

Data collected through September, 1976

Symbols used in the table of constants
Symbol	Meaning
State	electronic state and / or symmetry symbol
T_e	minimum electronic energy (cm^-1)
ω_e	vibrational constant – first term (cm^-1)
ω_ex_e	vibrational constant – second term (cm^-1)
ω_ey_e	vibrational constant – third term (cm^-1)
B_e	rotational constant in equilibrium position (cm^-1)
α_e	rotational constant – first term (cm^-1)
γ_e	rotation-vibration interaction constant (cm^-1)
D_e	centrifugal distortion constant (cm^-1)
β_e	rotational constant – first term, centrifugal force (cm^-1)
r_e	internuclear distance (Å)
Trans.	observed transition(s) corresponding to electronic state
ν₀₀	position of 0-0 band (units noted in table)

Diatomic constants for ¹²C¹⁴N⁺
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
d ¹Π	(a + 46253)	[890.76] Z	1		[1.6018]	2		[0.0000195] 2		[1.2762]	d → b 3 R	37544.49 Z
d ¹Π	↳missing citation; missing citation
f ¹Σ	a + 45533.6	2670.5 Z	46.9		1.903 4	0.032		[0.0000047]		1.171	f → b V	37703.14 Z
	↳missing citation
											f → a 5	45844.65 Z
	↳missing citation
c ¹Σ	(a + 31771)	(1265) 6	(11)		(1.403) 6	(0.002)		[0.000013]		(1.364)	c → a R	31381.60 6 Z
c ¹Σ	↳missing citation
State	T_e	ω_e	ω_ex_e	ω_ey_e	B_e	α_e	γ_e	D_e	β_e	r_e	Trans.	ν₀₀
b ¹Π	a + 8313.6	1688.35 Z	15.12		1.6767	0.0191	-0.0005	[0.00000684]		1.2473
a ¹Σ	a	2033.05 Z	16.14		1.8964	0.0188		[7.0E-06]		1.1729

Notes

ΔG(3/2) = 548.54, ΔG(5/2) = 542.18, ΔG(7/2) = 550.36. Vibrational numbering uncertain.

B₁ = 1.4319, D₁ = 47.3E-6 B₂ = 1.3023, D₂ = l7.9E-6 B₃ = 1.2598, D₃ = 19.4E-6 B₄ = 1.2196, D₄ = 9E-6 Local perturbations in nearly all vibrational levels. Vibrational numbering uncertain.

τ = 24 ns Smith, 1969.

Perturbations; see p.251 of Mulliken, 1960.

0-0 sequence consisting of four headless bands.

Vibrational numbering uncertain. Homogeneous perturbations by an unidentified state.

From D₀₀(CN) and the ionization potentials of CN and C.

References

Go To: Top, Constants of diatomic molecules, Notes

Smith, 1969
Smith, W.H., Radiative Lifetimes and Total Transition Probabilities for Some Polyatomic Species, J. Chem. Phys., 1969, 51, 8, 3410, https://doi.org/10.1063/1.1672528 . [all data]

Mulliken, 1960
Mulliken, R.S., Some neglected subcases of predissociation in diatomic molecules, J. Chem. Phys., 1960, 33, 247. [all data]

Notes

Go To: Top, Constants of diatomic molecules, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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