HCr

Reaction 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.

Data compiled by: John E. Bartmess

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Individual Reactions

Cr- + Hydrogen cation = HCr

By formula: Cr- + H+ = HCr

Quantity Value Units Method Reference Comment
ΔrH°1470. ± 16.kJ/molD-EABilodeau, Scheer, et al., 1998gas phase
Quantity Value Units Method Reference Comment
ΔrG°1389. ± 13.kJ/molIMRBSallans, Lane, et al., 1985gas phase; May be from long-lived excited state

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: John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
0.563 ± 0.010LPESMiller, Feigerle, et al., 1987 

De-protonation reactions

Cr- + Hydrogen cation = HCr

By formula: Cr- + H+ = HCr

Quantity Value Units Method Reference Comment
ΔrH°1470. ± 16.kJ/molD-EABilodeau, Scheer, et al., 1998gas phase
Quantity Value Units Method Reference Comment
ΔrG°1389. ± 13.kJ/molIMRBSallans, Lane, et al., 1985gas phase; May be from long-lived excited state

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 December, 1974

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 (52)CrH
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
            (30386)
↳Kleman and Liljeqvist, 1955; Smith, 1973
B (6Π) 1           B ↔ (X) (27181)
↳Gaydon and Pearse, 1937; Kleman and Liljeqvist, 1955; Kleman and Uhler, 1959; O'Connor, 1969; Smith, 1973
A 6Σ(+) (11611) [1479.4] Z 21.5 H  5.337 2 0.131  [0.000247] 3  1.787 A → X R 11552.29 Z
↳Kleman and Liljeqvist, 1955; missing citation; missing citation
X 6Σ(+) 0 [1581.2] H (32)  6.220 4 0.179  [0.000347] 5  1.6557  

Notes

1Complex V shaded band in the region 26975 - 27930 cm-1. 7
2Spin splitting constants Kleman and Uhler, 1959, O'Connor, 1967 γ0 = 1.20, λ0= 0.14. Perturbations in both v=0 and v=1 may be caused by a state 8Σ state Kleman and Uhler, 1959.
3H0= +0.7E-8; D1= 2.36E-4.
4Spin splitting constants γ0 ~ 0.1, λ0 ~ 0.03 Kleman and Uhler, 1959, O'Connor, 1967.
5H0 = +1.0E-8; D1 = 3.43E-4.
6Described as rather diffuse by Smith, 1973.
7The weakness of the emission at low pressures, and the stronger appearance of the corresponding deuteride system suggest predissociation of the upper state through a potential hill O'Connor, 1969.
8Spin splitting constants γ0 = 0.64, λ0 = 0.28. Several perturbations.
9H0 = +0.10E-8.
10Spin splitting constants γ0 = 0.023, λ0 = 0.03.
11H0 = +0.07E-8.

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.

Bilodeau, Scheer, et al., 1998
Bilodeau, R.C.; Scheer, M.; Haugen, H.K., Infrared Laser Photodetachment of Transition Metal Negative Ions: Studies on Cr-, Mo-, Cu-, and Ag-, J. Phys. B: Atom. Mol. Opt. Phys., 1998, 31, 17, 3885-3891, https://doi.org/10.1088/0953-4075/31/17/013 . [all data]

Sallans, Lane, et al., 1985
Sallans, L.; Lane, K.R.; Squires, R.R.; Freiser, B.S., Generation and reactions of atomic metal anions in the gas phase. Determination of the heterolytic and homolytic bond energies of VH, VrH, FeH, CoH, and MoH, J. Am. Chem. Soc., 1985, 107, 4379. [all data]

Miller, Feigerle, et al., 1987
Miller, A.E.S.; Feigerle, C.S.; Lineberger, W.C., Laser photoelectron spectroscopy of CrH-, CoH-, and NiH-: Periodic trends in the electronic structure of the transition-metal hydrides, J. Chem. Phys., 1987, 86, 1549. [all data]

Kleman and Liljeqvist, 1955
Kleman, B.; Liljeqvist, B., On the band spectrum of CrH, Ark. Fys., 1955, 9, 345. [all data]

Smith, 1973
Smith, R.E., Diatomic hydride and deuteride spectra of the second row transition metals, Proc. R. Soc. London A, 1973, 332, 113. [all data]

Gaydon and Pearse, 1937
Gaydon, A.G.; Pearse, R.W.B., Band spectrum of chromium hydride, CrH, Nature (London), 1937, 140, 110. [all data]

Kleman and Uhler, 1959
Kleman, B.; Uhler, U., A 6Σ-6Σ transition in CrH, Can. J. Phys., 1959, 37, 537. [all data]

O'Connor, 1969
O'Connor, S., A predissociation in the chromium hydride molecule, J. Phys. B:, 1969, 2, 541. [all data]

O'Connor, 1967
O'Connor, S., The infrared spectrum of CrH and CrD, Proc. R. Ir. Acad. Sect. A:, 1967, 65, 95-113. [all data]

Notes

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