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DCl+


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 D35Cl+
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A 2Sigma+ 28629.2 1152.09 1 Z 20.45 1  3.8595 1 2 0.1222 1  [1.717E-4] 3  1.5144 A rarrow X $fR 28247.65 4 Z
Norling, 1937; Sheasley and Mathews, 1973; Saenger, Zare, et al., 1976
X 2Pii 0 5 1918.56 6 Z 27.263 6  5.12164 7 8 0.12037 7  [1.459E-4] 9  1.31466  

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...9 in Sheasley and Mathews, 1973, Saenger, Zare, et al., 1976; gamma(v=0;N) = +0.3060 - 8.6E-6N(N+1).
3H0 = 0.40E-8; additional Dv,Hv values in Sheasley and Mathews, 1973, Saenger, Zare, et al., 1976.
4From Saenger, Zare, et al., 1976; Sheasley and Mathews, 1973 give v00= 28098.35 (HCl+) and v00= 28250.08 (DCl+); see 1.
5Spin-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.
6missing note
7From B0, B1, B2 Saenger, Zare, et al., 1976; gammae = +0.00061.
8Lambda-type doubling constant [p ~ 0.60(HCl+), p ~ 0.31(DCl+)] in Saenger, Zare, et al., 1976.
9H0= 0.29E-8; additional Dv, Hv values in Saenger, Zare, et al., 1976.
10Refers to 2Pi3/2; from D00(HCl) I.P.(Cl) - I.P.(HCl).
11Spin 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).
12Higher vibrational levels are predicted Norling, 1937, 2 to be predissociated by the 4Pi state from H(2S) + Cl+(3P).
13H0 = 2.30E-8. Additional Dv, Hv values in Sheasley and Mathews, 1973, Saenger, Zare, et al., 1976.
14Variation of transition moment with r derived from observed intensities by Haugh, Schneider, et al., 1974 who also give Franck-Condon factors.
15Spin-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.
16From DeltaG(1/2) and DeltaG(3/2) of Saenger, Zare, et al., 1976.
17From B0, B1, B2 of Saenger, Zare, et al., 1976; gammae = +0.00266.
18H0 = 1.52E-8; additional Dv, Hv values in Saenger, Zare, et al., 1976.
19Refers to 2Pi3/2; from D00(DCl) + I.P.(Cl) - I.P.(DCl).

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.

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]

Norling, 1937, 2
Norling, F., Uber die bandenspektren der ionisierten halogenwasserstoffe. III. Feinstrukktur und isotopieeffekte in den chlorhydridund chlordeutridspektren. Termschema, Z. Phys., 1937, 106, 177. [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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