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Bromomethylidyne


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
Deltafgas510.45kJ/molReviewChase, 1998Data last reviewed in June, 1967
Quantity Value Units Method Reference Comment
gas,1 bar233.47J/mol*KReviewChase, 1998Data last reviewed in June, 1967

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 (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 6000.
A 38.27787
B -0.287543
C 0.158071
D -0.011188
E -0.184630
F 498.4274
G 278.8372
H 510.4480
ReferenceChase, 1998
Comment Data last reviewed in June, 1967

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, 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.

Data compiled as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to CBr+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
10.43 ± 0.02EIReed and Snedden, 1958RDSH

Constants of diatomic molecules

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

Symbols used in the table of constants
SymbolMeaning
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)
Diatomic constants for 12C(79)Br
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A2 2Delta5/2 1 2   [0.4956]   [0.0000012]  [1.815] 3 A2 larrow X2 V 32753.1 Z
Simons and Yarwood, 1961; missing citation
  2        [1.815] 3 (A2 larrow X1) (33218.4) H
Simons and Yarwood, 1961; missing citation
A1 2Delta3/2  2   4      (A1 larrow X2) (32699.1) H
Simons and Yarwood, 1961; missing citation
  2         A1 larrow X1 5 33163.5
Simons and Yarwood, 1961; missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
X2 2Pi3/2 6 2   [0.4877]   [0.0000006]  [1.823] 7  
X1 2Pi1/2 0 2        [1.823] 7  

Notes

1A0 = +28.
2DeltaG"(1/2) - DeltaG'(1/2) = +93.7 (F1) and DeltaG"(1/2) - DeltaG'(1/2)= +82.8 (F2).
3From the "true" B0 = 0.4912.
4Both v=0 and v=l of A1 are predissociated.
5Undegraded diffuse band.
6A0= +466.
7From the "true" B0 = 0.4872.
8From the predissociation in A1 2Delta3/2(v=0). Study of flame reactions Miller and Palmer, 1964 suggests 2.86 eV.

References

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

Reed and Snedden, 1958
Reed, R.I.; Snedden, W., Studies in electron impact methods. Part 2. The latent heat of sublimation of carbon, J. Chem. Soc. Faraday Trans., 1958, 54, 301. [all data]

Simons and Yarwood, 1961
Simons, J.P.; Yarwood, A.J., Decomposition of hot radicals. Part 1. The production of CCl and CBr from halogen-substituted methyl radicals, Trans. Faraday Soc., 1961, 57, 2167. [all data]

Miller and Palmer, 1964
Miller, W.J.; Palmer, H.B., Chemiluminescence and radical reactions in diffusion flames of alkali metals with organic halides, J. Chem. Phys., 1964, 40, 3701. [all data]


Notes

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