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HCl+


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, 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 H35Cl+
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A 2Sigma+ 28626.5 1606.47 1 Z 40.31 1  7.5054 1 2 3 0.3313 1  [6.435E-4] 4  1.5142 A rarrow X 5 R 28095.97 6 Z
Norling, 1937; Sheasley and Mathews, 1973; Saenger, Zare, et al., 1976
X 2Pii 0 7 2673.69 8 Z 52.537 8  9.95661 9 10 0.32716 9  [5.477E-4] 11  1.31468  

Notes

1Equilibrium values of Sheasley and Mathews, 1973; G(v) and Bv are far from linear but higher terms in (v+1/2) have not been given. Sheasley and Mathews, 1973, Saenger, Zare, et al., 1976 give Tv, Bv values up to v=6 (HCl+) and 9 (DCl+); their Tv values differ systematically by ~2.34 cm-1.
2Spin doubling constants for v=0...6 in Sheasley and Mathews, 1973, Saenger, Zare, et al., 1976; gamma(v=0;N) = + 0.5942 - 0.000034N(N+1).
3Higher vibrational levels are predicted Raftery and Richards, 1973 to be predissociated by the 4Pi state from H(2S) + Cl+(3P).
4H0 = 2.30E-8. Additional Dv, Hv values in Sheasley and Mathews, 1973, Saenger, Zare, et al., 1976.
5Variation of transition moment with r derived from observed intensities by Haugh, Schneider, et al., 1974 who also give Franck-Condon factors.
6From Saenger, Zare, et al., 1976; Sheasley and Mathews, 1973 give v00= 28098.35 (HCl+) and v00= 28250.08 (DCl+); see 1.
7Spin-orbit coupling constants for v=0,1,2 in Saenger, Zare, et al., 1976; A(v=0;J) = -648.131 + 0.00209(J+1/2)2.
8missing note
9From B0, B1, B2 of Saenger, Zare, et al., 1976; gammae = +0.00266.
10Lambda-type doubling constant [p ~ 0.60(HCl+), p ~ 0.31(DCl+)] in Saenger, Zare, et al., 1976.
11H0 = 1.52E-8; additional Dv, Hv values in Saenger, Zare, et al., 1976.
12Refers to 2Pi3/2; from D00(HCl) I.P.(Cl) - I.P.(HCl).
13From DeltaG(1/2) and DeltaG(3/2) of Saenger, Zare, et al., 1976.
14Refers to 2Pi3/2; from D00(DCl) + I.P.(Cl) - I.P.(DCl).
15Spin-doubling constants for v=0...9 in Sheasley and Mathews, 1973, Saenger, Zare, et al., 1976; gamma(v=0;N) = +0.3060 - 8.6E-6N(N+1).
16H0 = 0.40E-8; additional Dv,Hv values in Sheasley and Mathews, 1973, Saenger, Zare, et al., 1976.
17Spin-orbit coupling constants for v=0,1,2 in Saenger, Zare, et al., 1976; A(v=0;J) = - 648.170 + 0.00095(J+1/2)2.
18From B0, B1, B2 Saenger, Zare, et al., 1976; gammae = +0.00061.
19H0= 0.29E-8; additional Dv, Hv values in Saenger, Zare, et al., 1976.

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.

Norling, 1937
Norling, F., Uber die bandenspektren der ionisierten halogenwasserstoffe. II. Chlorhydrid- und chlordeutridspektren, Z. Phys., 1937, 104, 638. [all data]

Sheasley and Mathews, 1973
Sheasley, W.D.; Mathews, C.W., The emission spectra of H35Cl+, H37Cl+, D35Cl+, and D37Cl+ in the region 2700-4100 Å, J. Mol. Spectrosc., 1973, 47, 420. [all data]

Saenger, Zare, et al., 1976
Saenger, K.L.; Zare, R.N.; Mathews, C.W., A reexamination of the spin-rotation constant for 2«PI» states: the A-X band system of HCl+, J. Mol. Spectrosc., 1976, 61, 216. [all data]

Raftery and Richards, 1973
Raftery, J.; Richards, W.G., Prediction of a predissociation in the A2«SIGMA»+ states of HCl+ and DCl+, J. Phys. B:, 1973, 6, 1301. [all data]

Haugh, Schneider, et al., 1974
Haugh, M.J.; Schneider, B.S.; Smith, A.L., Transition moment variation in the A2«SIGMA»+ --> X2«PI»i transition of HCl+, DCl+ and HBr+, J. Mol. Spectrosc., 1974, 51, 123. [all data]


Notes

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