Strontium monobromide

Formula: BrSr
Molecular weight: 167.52
CAS Registry Number: 14519-13-2
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Gas phase thermochemistry data

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Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-21.30	kcal/mol	Review	Chase, 1998	Data last reviewed in December, 1974
Quantity	Value	Units	Method	Reference	Comment
S°_{gas,1 bar}	63.038	cal/mol*K	Review	Chase, 1998	Data last reviewed in December, 1974

Gas Phase Heat Capacity (Shomate Equation)

C_p° = 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
C_p = 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. - 1500.	1500. - 6000.
A	8.920851	11.66610
B	0.175013	-2.122300
C	-0.040573	0.612839
D	0.011790	-0.041036
E	-0.014306	-1.355571
F	-24.01520	-27.11140
G	73.70270	75.06150
H	-21.30000	-21.30000
Reference	Chase, 1998	Chase, 1998
Comment	Data last reviewed in December, 1974	Data last reviewed in December, 1974

Gas phase ion energetics data

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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 BrSr⁺ (ion structure unspecified)

Ionization energy determinations

IE (eV)	Method	Reference	Comment
5.56 ± 0.06	EVAL	Belyaev, Gotkis, et al., 1990	LL
5.13 ± 0.23	CI	Meyer, Schulze, et al., 1984	LBLHLM
5.5	PE	Hildenbrand, 1977	LLK

Constants of diatomic molecules

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

Data collected through September, 1977

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 ⁽⁸⁸⁾Sr⁷⁹Br
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
V shaded emission bands in the region 17000 - 20000 cm^-1 have been attributed to transitions from three additional states to A ²Π and B ²Σ.
↳Reddy, Reddy, et al., 1971
E ²Σ⁺	32052.5	248.0 H	0.65								E → X V	32068.2 H
E ²Σ⁺	↳Reddy and Rao, 1966
D ²Σ⁺	28958.2	247.8 H	0.55								D ↔ X V	28973.8 H
D ²Σ⁺	↳Harrington, 1942; Puri and Mohan, 1975
C ²Π	24665.8	205.2 H	0.49								C ↔ X 1 R	24660.2 H
	↳Olmsted, 1906; Harrington, 1942; Joshi and Gopal, 1975; Puri and Mohan, 1975
	24343.7	205.2 H	0.49								C ↔ X 1 R	24338.1 H
	↳Olmsted, 1906; Harrington, 1942; Joshi and Gopal, 1975; Puri and Mohan, 1975
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 ²Σ⁺	15352.0	222.0 H	0.55								B ↔ X 1 V	15354.7 H
B ²Σ⁺	↳Hedfeld, 1931; Harrington, 1942
A ²Π	15000.7	222.1 H	0.53								A ↔ X 1 V	15003.5 H
	↳Hedfeld, 1931; Harrington, 1942
	14699.4	222.1 H	0.53								A ↔ X 1 V	14702.2 H
	↳Hedfeld, 1931; Harrington, 1942
X ²Σ⁺	0	216.5 H	0.51

Notes

The following radiative lifetimes have been measured by Dagdigian, Cruse, et al., 1974: τ(A)= 34 ns, τ(B)= 42 ns, τ(C)= 29 ns.

Thermochemical value (mass-spectrometry) Hildenbrand, 1977; in good agreement with the flame photometric value of Gurvich, Ryabova, et al., 1973, Khitrov, Ryabova, et al., 1973 but considerably below the lower limit to D₀⁰ derived by Menzinger, 1974 from the study of chemiluminescence spectra.

References

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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., 1971
Reddy, B.R.K.; Reddy, Y.P.; Ashrafunnisa; Rao, P.T., New electronic transitions in diatomic SrBr molecule, Curr. Sci., 1971, 40, 317. [all data]

Reddy and Rao, 1966
Reddy, Y.P.; Rao, P.T., A new ultraviolet band system of the SrBr molecule, Indian J. Pure Appl. Phys., 1966, 6, 251. [all data]

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

Puri and Mohan, 1975
Puri, S.N.; Mohan, H., Emission spectrum (C-X and D-X systems) of the molecule - SrBr, Curr. Sci., 1975, 44, 152-153. [all data]

Olmsted, 1906
Olmsted, C.M., Die bandenspektra nahe verwandter verbindungen, Z. Wiss. Photogr. Photophys. Photochem., 1906, 4, 293-333. [all data]

Joshi and Gopal, 1975
Joshi, M.M.; Gopal, R., The C(²Π) → X(²Σ⁺) 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]

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]

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]

Menzinger, 1974
Menzinger, M., Electronic chemiluminescence in M + X₂ reactions: dissociation energies of the alkaline earth monohalides MX (M = Ca, Sr, Ba; X = F, Cl, Br), Can. J. Chem., 1974, 52, 1688. [all data]

Notes

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Symbols used in this document:

S°_{gas,1 bar} Entropy of gas at standard conditions (1 bar)

Δ_fH°_gas Enthalpy of formation of gas at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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S°_{gas,1 bar}	Entropy of gas at standard conditions (1 bar)
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions