Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Calcium monobromide


Gas phase thermochemistry data

Go To: Top, Gas phase ion energetics 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.

Quantity Value Units Method Reference Comment
Deltafgas-49.40kJ/molReviewChase, 1998Data last reviewed in December, 1974
Quantity Value Units Method Reference Comment
gas,1 bar252.89J/mol*KReviewChase, 1998Data last reviewed in December, 1974

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.

View plot Requires a JavaScript / HTML 5 canvas capable browser.

View table.

Temperature (K) 298. - 1600.1600. - 6000.
A 37.1711249.61847
B 1.046214-8.776318
C -0.4076842.343313
D 0.108885-0.146129
E -0.095108-7.162380
F -60.84080-75.94086
G 297.0477302.3589
H -49.39589-49.39589
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in December, 1974 Data last reviewed in December, 1974

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:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to BrCa+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
5.92 ± 0.07EVALBelyaev, Gotkis, et al., 1990LL
5.54 ± 0.25CIMeyer, Schulze, et al., 1984LBLHLM
5.6PEHildenbrand, 1977LLK

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

Data collected through July, 1976

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 40Ca79Br
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
H 36798.7 343.4 H 1.0        H rarrow A V 20840.2 H
Reddy, Reddy, et al., 1970
           H rarrow A V 20904.6 H
Reddy, Reddy, et al., 1970
E 2Sigma+ 33942.2 318.6 1 H 1.2        E rarrow X V 33958.8 H
Reddy and Rao, 1968
D 2Sigma+ 31190.8 326.6 2 H 1.02        D lrarrow X V 31211.4 H
Harrington, 1942; Reddy and Rao, 1968
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
C 2Pi 25537.5 265.2 H 0.97        C lrarrow X 3 4 R 25527.4 H
Harrington, 1942; Joshi and Gopal, 1975
25314.0 265.2 H 0.97        C lrarrow X 3 4 R 25303.9 H
Harrington, 1942; Joshi and Gopal, 1975
B 2Sigma+ 16380.0 284.6 H 0.92        B larrow X 5 6 V 16379.6 H
Harrington, 1942
A 2Pi 15985.8 288.1 H 0.92        A lrarrow X 7 8 V 15987.2 H
Hedfeld, 1931; Harrington, 1942
15922.5 288.1 H 0.92        A lrarrow X 7 8 V 15923.9 R
Hedfeld, 1931; Harrington, 1942
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
X 2Sigma+ 0 285.3 H 0.86         

Notes

1Normal isotopic mixture.
2Slightly different constants in Shah, 1970.
3Radiative lifetime tau(v=0,1) = 32.5 ns Dagdigian, Cruse, et al., 1974.
4Four heads.
5Radiative lifetime tau(v=0)= 42.9 ns Dagdigian, Cruse, et al., 1974.
6Double heads on account of large spin doubling in the upper state. Constants refer to the short-wavelength head.
7Radiative lifetime tau(v=1) = 34.0 ns Dagdigian, Cruse, et al., 1974.
8Four heads. For a reproduction of the spectrum see Fig. 1e of Hayes and Nevin, 1955 who wrongly attributed the spectrum to MnBr.
9Flame photometric value Gurvich, Ryabova, et al., 1973, Khitrov, Ryabova, et al., 1973.

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]

Belyaev, Gotkis, et al., 1990
Belyaev, V.N.; Gotkis, I.S.; Lebedeva, N.L.; Krasnov, K.S., Ionization potentials of MX molecules (M = Ca, Sr, Ba; X = F, Cl, Br, I, OH, O), Russ. J. Phys. Chem., 1990, 64, 773. [all data]

Meyer, Schulze, et al., 1984
Meyer, H.-J.; Schulze, T.; Ross, U., Molecular beam study of the chemi-ionization in the reactive scattering of Ca and Sr with Cl2 and Br2 at collision energies C(c.m.)<4.5 eV, Chem. Phys., 1984, 90, 185. [all data]

Hildenbrand, 1977
Hildenbrand, D.L., Dissociation energies of CaBr, SrBr, BaBr, and BaCl from mass spectrometric studies of gaseous equilibria, J. Chem. Phys., 1977, 66, 3526. [all data]

Reddy, Reddy, et al., 1970
Reddy, B.R.K.; Reddy, Y.P.; Rao, P.T., The visible emission spectrum of the CaBr molecule, Curr. Sci., 1970, 39, 485. [all data]

Reddy and Rao, 1968
Reddy, Y.P.; Rao, P.T., Ultraviolet emission spectrum of CaBr molecule, Indian J. Pure Appl. Phys., 1968, 6, 181. [all data]

Harrington, 1942
Harrington, Dissertation, University of California, California, 1942, 0. [all data]

Joshi and Gopal, 1975
Joshi, M.M.; Gopal, R., The C(2«PI») --> X(2«SIGMA»+) transition in thermal emission spectra of the diatomic alkaline earth bromides, Pramana, 1975, 4, 276. [all data]

Hedfeld, 1931
Hedfeld, K., Die bandenspektren der erdalkalihalogene, Z. Phys., 1931, 68, 610. [all data]

Shah, 1970
Shah, S.G., Ultraviolet emission spectrum of CaBr molecule, Indian J. Pure Appl. Phys., 1970, 8, 118. [all data]

Dagdigian, Cruse, et al., 1974
Dagdigian, P.J.; Cruse, H.W.; Zare, R.N., Radiative lifetimes of the alkaline earth monohalides, J. Chem. Phys., 1974, 60, 2330. [all data]

Hayes and Nevin, 1955
Hayes, W.; Nevin, T.E., New band systems of MnF and MnBr in the red, Proc. Phys. Soc. London Sect. A, 1955, 68, 665. [all data]

Gurvich, Ryabova, et al., 1973
Gurvich, L.V.; Ryabova, V.G.; Khitrov, A.N., Determination of dissociation energies of alkaline-earth chlorides, bromides and hydroxides by flame photometry, Faraday Symp. Chem. Soc., 1973, 8, 83. [all data]

Khitrov, Ryabova, et al., 1973
Khitrov, A.N.; Ryabova, V.G.; Gurvich, L.V., Spectrophotometric determination of the dissociation energies of molecules, High Temp. Engl. Transl., 1973, 11, 1005, In original 1126. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Constants of diatomic molecules, References