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Beryllium chloride


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
Deltafgas14.50kcal/molReviewChase, 1998Data last reviewed in September, 1966
Quantity Value Units Method Reference Comment
gas,1 bar51.998cal/mol*KReviewChase, 1998Data last reviewed in September, 1966

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. - 6000.
A 8.462570
B 0.515947
C -0.126733
D 0.012599
E -0.097984
F 11.62680
G 61.53970
H 14.50000
ReferenceChase, 1998
Comment Data last reviewed in September, 1966

Gas phase ion energetics 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.

Data compiled by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to BeCl+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference
9.5 ± 0.5EIHildenbrand and Theard, 1969

Constants of diatomic molecules

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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

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 9Be35Cl
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
R shaded emission bands in the region 37900 - 38300 cm-1 Novikov and Tunitskii, 1960 are due to AlCl. Unidentified system (nue = 18686, omegae'=540, omegae"=552 cm-1) in emission Parker, 1934; assignment to BeCl not confirmed.
B 2Sigma+ (48773) [952.5] Z 1  0.7751 2 0.0043  [3.0E-06] 3  1.7422 B rarrow X V 48827.6 Z
missing citation; missing citation
A 2Pir 27992.0 822.11 Z 5.24  0.7094 2 0.0068  0.0000023  1.8211 A lrarrow X R 27979.63
missing citation; missing citation; missing citation
X 2Sigma+ 0 846.7 Z 4.85  0.7285 0.0069  0.0000025  1.7971  

Notes

1A very weak head at 48502.7 cm-1 has tentatively been identified as 2-3 band; DeltaG'(3/2)=1212.7 cm-1.
2The Lambda-type doubling in the 1/2 [Deltanuef(v=0) ~ -0.011(J+1/2)] and 3/2 components does not conform with the "pure precession" pattern frequently observed in regular 2Pi states; see Colin, Carleer, et al., 1972.
3D1=1.9E-6.
4values for D00 obtained by various methods have been summarized in Farber and Srivastava, 1974, all being close to 4.51 eV and substantially higher than a mass-spectrometric value of 3.99 eV Hildenbrand and Theard, 1969. The interpretation Carleer, Burtin, et al., 1977 of an inverse predissociation assumed to be responsible for the strikingly high intensity of B rarrow X bands with v'=1 suggests an even lower value of 3.45 eV.
5Av=+52.8-1.4(v+1/2).

References

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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]

Hildenbrand and Theard, 1969
Hildenbrand, D.L.; Theard, L.P., Mass spectrometric measurement of the dissociation energies of BeCi and BeCl2, J. Chem. Phys., 1969, 50, 5350. [all data]

Novikov and Tunitskii, 1960
Novikov, M.M.; Tunitskii, L.N., Vibrational constants and dissociation energy of the BeCl molecule, Opt. Spectrosc. Engl. Transl., 1960, 8, 396. [all data]

Parker, 1934
Parker, A.E., Vibrational analysis of BaCl and BeCl bands, Phys. Rev., 1934, 45, 752. [all data]

Colin, Carleer, et al., 1972
Colin, R.; Carleer, M.; Prevot, F., Rotational analysis of the A2«PI»-X2«SIGMA»+ band system of the BeCl molecule, Can. J. Phys., 1972, 50, 171. [all data]

Farber and Srivastava, 1974
Farber, M.; Srivastava, R.D., Dissociation energies of BeF and BeCl and the heat of formation of BeClF, J. Chem. Soc. Faraday Trans. 1, 1974, 70, 1581. [all data]

Carleer, Burtin, et al., 1977
Carleer, M.; Burtin, B.; Colin, R., A new predissociated 2«SIGMA»+ state of the BeCl molecule, Can. J. Phys., 1977, 55, 582-588. [all data]


Notes

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