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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
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
Kleman and Liljeqvist, 1955; Smith, 1973
B (6Pi) 1           B lrarrow (X) (27181)
Gaydon and Pearse, 1937; Kleman and Liljeqvist, 1955; Kleman and Uhler, 1959; O'Connor, 1969; Smith, 1973
A 6Sigma(+) (11611) [1479.4] Z 21.5 H  5.337 2 0.131  [0.000247] 3  1.787 A rarrow X R 11552.29 Z
Kleman and Liljeqvist, 1955; missing citation; missing citation
X 6Sigma(+) 0 [1581.2] H (32)  6.220 4 0.179  [0.000347] 5  1.6557  


1Complex V shaded band in the region 26975 - 27930 cm-1. 7
2Spin splitting constants Kleman and Uhler, 1959, O'Connor, 1967 gamma0 = 1.20, lambda0= 0.14. Perturbations in both v=0 and v=1 may be caused by a state 8Sigma state Kleman and Uhler, 1959.
3H0= +0.7E-8; D1= 2.36E-4.
4Spin splitting constants gamma0 ~ 0.1, lambda0 ~ 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 gamma0 = 0.64, lambda0 = 0.28. Several perturbations.
9H0 = +0.10E-8.
10Spin splitting constants gamma0 = 0.023, lambda0 = 0.03.
11H0 = +0.07E-8.


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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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 6«SIGMA»-6«SIGMA» 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]


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