DZn+


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 July, 1975

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 (64)ZnD
StateTeωeωexeωeyeBeαeγeDeβereTrans.ν00
C 2Σ+ (41110) 1313 H 24        C ← X V 41204 H
Khan, 1962
A 2Πr 1    [3.736] 2   [1.31E-4] 3  [1.5202] A → X V 23391.5 4 Z
Fujioka and Tanaka, 1937; Veseth, 1971
X 2Σ+ 0 [1072] H (28)  [3.3497] 5   [1.240E-4]  [1.6054]  

Notes

1A0 = +342.82 Veseth, 1971, as recalculated in Veseth, 1971 from the data of Fujioka and Tanaka, 1937.
2Rotational constants recalculated in Veseth, 1971 from data in Fujioka and Tanaka, 1937. Λ-type doubling Δνfe(2Π1/2) ~ +0.170~(J+1/2) - ,.., see Fujioka and Tanaka, 1937.
3H0 = +1.6E-8.
4missing note
5Spin doubling Δν12 = +0.131(N+1/2), see Fujioka and Tanaka, 1937.
6Short extrapolation for the ground state.
7All lines diffuse; predissociation.
8All observed vibrational levels of B 2Σ show perturbations by A 2Π levels with v ≥ l. The rotational constants in Stenvinkel, 1936 are satisfactorily reproduced by Bv = 3.304 - 0.033(v+1/2) + 0.00060(v+1/2)2 - 0.000245(v+1/2)3 except for v=1, 2, and 3 all of which are close to the intersection of the two potential curves.
9A0 = +342.66 Veseth, 1971, A1 = +342.06 Veseth, 1971 [as recalculated in Veseth, 1971 from the data of Stenvinkel, 1936].
10Rotational constants for v=0 and 1 as recalculated in Veseth, 1971 from the data of Stenvinkel, 1936. Λ-type doubling Δνfe(2Π1/2, v=0) ~ 0.269(J+1/2) - ..., and in 2Π3/2 [see Fujioka and Tanaka, 1937 and Stenvinkel, 1936].
11D1 = 4.46E-4; H0 = +1.34E-8, H1 = +0.9E-8. gJ'=1/2 (average of F1 and {F2}) relative to N"=0. A different definition was used in Stenvinkel, 1936.
12ωeze = -0.4339. Very rapid convergence. The constants (from Stenvinkel, 1936) lead to a discrepancy of nearly 6 cm-1 for the highest observed level, v=5.
13Spin doubling, Δ v12(v=0) = +0.254(N+1/2) - ... [ Stenvinkel, 1936, see also Veseth, 1970], decreasing rapidly with increasing v.
14αv= -0.03765(v+1/2)2 + 0.00897(v+1/2)3 - 0.001479(v+1/2)4.
15D1(E-4 cm-1)= 5.00, D2(E-4 cm-1)= 5.49, D3(E-4 cm-1)= 6.58, D4(E-4 cm-1)= 8.40, D5(E-4 cm-1)= 10.5. Also higher order terms, see Stenvinkel, 1936.
16In Ar matrix at 4 K Knight and Weltner, 1971.
17From the value for ZnH.

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.

Khan, 1962
Khan, M.A., New band systems of ZnH and ZnD in the far ultra-violet region, Proc. Phys. Soc. London, 1962, 80, 599. [all data]

Fujioka and Tanaka, 1937
Fujioka, Y.; Tanaka, Y., Molecular spectra of zinc hydride and deuteride, Sci. Pap. Inst. Phys. Chem. Res. Jpn., 1937, 32, 143-156. [all data]

Veseth, 1971
Veseth, L., Corrections to the spin-orbit splitting in 2Π states of diatomic molecules, J. Mol. Spectrosc., 1971, 38, 228. [all data]

Stenvinkel, 1936
Stenvinkel, G., Dissertation - Ref. to earlier work are reviewed in this paper, Stockholm, 1936, 1. [all data]

Veseth, 1970
Veseth, L., Modifications of the doublet energy formulae of a diatomic molecule necessitated by the rotational stretching, J. Phys. B:, 1970, 3, 1677. [all data]

Knight and Weltner, 1971
Knight, L.B., Jr.; Weltner, W., Jr., Hyperfine interaction, chemical bonding, and isotope effect in ZnH, CdH, and HgH molecules, J. Chem. Phys., 1971, 55, 2061. [all data]


Notes

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