Bromoimidogen
- Formula: BrN
- Molecular weight: 93.911
- CAS Registry Number: 13967-29-8
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | 71.883 | kcal/mol | Review | Chase, 1998 | Data last reviewed in December, 1962 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 56.274 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in December, 1962 |
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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| Temperature (K) | 298. to 6000. |
|---|---|
| A | 8.683421 |
| B | 0.328703 |
| C | -0.058823 |
| D | 0.005000 |
| E | -0.088227 |
| F | 68.98420 |
| G | 66.18970 |
| H | 71.88301 |
| Reference | Chase, 1998 |
| Comment | Data last reviewed in December, 1962 |
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 May, 1977
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| b 1Σ+ | 14787.3 | 785.5 H | 4.363 | 0.4733 1 | 0.0152 | 1.7306 | b → X 2 V | 14834.3 H | ||||
| ↳Elliott, 1939; missing citation | ||||||||||||
| X 3Σ-(0+) | 0 3 | 691.75 H | 4.720 | 0.444 3 1 | 0.0040 3 | 1.787 4 | ||||||
| ↳Milligan and Jacox, 1964 | ||||||||||||
Notes
| 1 | Potential functions Singh and Rai, 1966. |
| 2 | Franck-Condon factors Itagi, Shamkuwar, et al., 1971. |
| 3 | Only levels with N = J+1, i.e. F1(N) corresponding in case "c" to the 0+ component, have been observed at high resolution. For this reason, and since only B"3 and B"7 have been determined (assuming λ ~8.7, γ ~-0.7) the values of Be and αe are not very precise. |
| 4 | Vibration sp. 6 |
| 5 | Estimated from the highest v' value observed in b→X emission from the reaction N(4S) + Br(2P3/2) → NBr* → NBr + hv Milton, Dunford, et al., 1961. |
| 6 | In argon and nitrogen matrices, ΔG(1/2) = 691. |
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]
Elliott, 1939
Elliott, A.,
A band spectrum attributed to NBr,
Proc. R. Soc. London A, 1939, 169, 469. [all data]
Milligan and Jacox, 1964
Milligan, D.E.; Jacox, M.E.,
Infrared Spectra of NF, NCl, and NBr,
J. Chem. Phys., 1964, 40, 9, 2461, https://doi.org/10.1063/1.1725547
. [all data]
Singh and Rai, 1966
Singh, R.B.; Rai, D.K.,
Potential curves for some diatomic molecules: P2, PN, SiN, NBr, BaO, BeF, SiF & SnF,
Indian J. Pure Appl. Phys., 1966, 4, 102. [all data]
Itagi, Shamkuwar, et al., 1971
Itagi, S.; Shamkuwar, N.R.; Itagi, V.V.,
Franck-Condon factors for bands of NBr 1Σ+-3Σ- system,
Indian J. Phys., 1971, 45, 385. [all data]
Milton, Dunford, et al., 1961
Milton, E.R.V.; Dunford, H.B.; Douglas, A.E.,
Spectrum of NBr excited in active nitrogen,
J. Chem. Phys., 1961, 35, 1202. [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) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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