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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Gas phase thermochemistry data
Go To: Top, Constants of diatomic molecules, References, Notes
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 |
|---|---|---|---|---|---|
| S°gas,1 bar | 213.44 | J/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1970 |
Constants of diatomic molecules
Go To: Top, Gas phase thermochemistry data, 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: Klaus P. Huber and Gerhard H. Herzberg
Data collected through September, 1976
| Symbol | Meaning |
|---|---|
| State | electronic state and / or symmetry symbol |
| Te | minimum electronic energy (cm-1) |
| ωe | vibrational constant – first term (cm-1) |
| ωexe | vibrational constant – second term (cm-1) |
| ωeye | vibrational constant – third term (cm-1) |
| Be | rotational constant in equilibrium position (cm-1) |
| αe | rotational constant – first term (cm-1) |
| γe | rotation-vibration interaction constant (cm-1) |
| De | centrifugal distortion constant (cm-1) |
| βe | rotational constant – first term, centrifugal force (cm-1) |
| re | internuclear distance (Å) |
| Trans. | observed transition(s) corresponding to electronic state |
| ν00 | position of 0-0 band (units noted in table) |
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | 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 | |||
| ↳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 | |||
| ↳missing citation | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | 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
| 1 | ΔG(3/2) = 548.54, ΔG(5/2) = 542.18, ΔG(7/2) = 550.36. Vibrational numbering uncertain. |
| 2 | 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. |
| 3 | τ = 24 ns Smith, 1969. |
| 4 | Perturbations; see p.251 of Mulliken, 1960. |
| 5 | 0-0 sequence consisting of four headless bands. |
| 6 | Vibrational numbering uncertain. Homogeneous perturbations by an unidentified state. |
| 7 | From D00(CN) and the ionization potentials of CN and C. |
References
Go To: Top, Gas phase thermochemistry data, Constants of diatomic molecules, 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]
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, Gas phase thermochemistry data, Constants of diatomic molecules, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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