DZn+
- Formula: DZn+
- Molecular weight: 67.39
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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 July, 1975
Symbol | Meaning |
---|---|
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) |
State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | 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
1 | A0 = +342.82 Veseth, 1971, as recalculated in Veseth, 1971 from the data of Fujioka and Tanaka, 1937. |
2 | Rotational 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. |
3 | H0 = +1.6E-8. |
4 | missing note |
5 | Spin doubling Δν12 = +0.131(N+1/2), see Fujioka and Tanaka, 1937. |
6 | Short extrapolation for the ground state. |
7 | All lines diffuse; predissociation. |
8 | All 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. |
9 | A0 = +342.66 Veseth, 1971, A1 = +342.06 Veseth, 1971 [as recalculated in Veseth, 1971 from the data of Stenvinkel, 1936]. |
10 | Rotational 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]. |
11 | D1 = 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. |
12 | ωeze = -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. |
13 | Spin doubling, Δ v12(v=0) = +0.254(N+1/2) - ... [ Stenvinkel, 1936, see also Veseth, 1970], decreasing rapidly with increasing v. |
14 | αv= -0.03765(v+1/2)2 + 0.00897(v+1/2)3 - 0.001479(v+1/2)4. |
15 | D1(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. |
16 | In Ar matrix at 4 K Knight and Weltner, 1971. |
17 | From the value for ZnH. |
References
Go To: Top, Constants of diatomic molecules, Notes
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
Go To: Top, Constants of diatomic molecules, References
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