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DAu


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 November, 1974

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 197AuD
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
C 1Sigma+ (43350) (1100) 1   [(3.53)] 1     [(1.548)] 1 C larrow X R (43086) 1
missing citation
b 1 (42838) (845) 2 (29) 2  [2.762] 3   [0.000093]  [1.7497] b larrow X R 42440.7 Z
Ringstrom, 1963
a 2 4           a larrow X R 
Ringstrom, 1963
B 0+ 38531.9 1187.4 Z 33.9 5  2.951 6 0.067 5  0.000073 5  1.6927 B lrarrow X R 38305.1 Z
Heimer, 1936; missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A 0+ 27644.1 1195.24 Z 34.813  3.0352 0.0963 -0.0038 0.000079 0.0000071 1.66906 A rarrow X R 27420.9 Z
Heimer, 1936; missing citation
X 1Sigma+ 0 1634.98 Z 21.655 -0.0288 3.6415 0.07614  0.0000709 -0.00000034 1.52379  

Notes

1Approximate constants for the deperturbed state. Perturbed values are B0 = 2.954, nu0(0-0) = 43011.0. Constants for an additional level at 45122.8 cm-1 above X 1Sigma+(v=0), assumed to be unperturbed and tentatively assigned as v=2, are B2 = 2.75, D2 = 8.3E-4.
2From the value for AuH.
3Average of the two Omega-type doubling components; Deltanuef ~ +0.0055 J(J+1).
4Identification uncertain.
5Vibrational levels observed for v leq 7, except v=6. Levels with v > 2 are strongly perturbed by C 1Sigma+ Ringstrom, 1963. betae ~ +0.06E-4.
6Line width in 5 larrow 0 band increases with J.
7Based on the value for the common dissociation limit Au(2D3/2) + H(2S) of states B, a, b,and c Ringstrom, 1963. Agrees within error limits with an earlier thermochemical value by Farkas, 1929.
8Approximate constants for the deperturbed state. Perturbed values are B0 = 5.79, nu0(0-0) = 43105.5. Rotational levels in v=0 are broadened: broadening increases with J. See 16.
9D1 = 7.6E-4.
10Q branches only having J geq 18.
11Omega-type doubling Deltanuef(v=0) ~ +0.006J(J+1) +0.00007 J2(J+1)2 - ...for J < 17. b 1 (v=0) perturbed by B 0+ (v=3) at J~18. Bands with v' geq 1 consist of Q branches only.
12Omega-type doubling Deltanuef(v=0) ~ -0.005J(J+1) + 0.00002 J2(J+1)2. Bands ascribed by Ringstrom, 1963 to v=4 and 5 (B4 = 4.60, B5 = 3.63) consist of Q branches only: line width increasing with J, see 16 .
13A and B correspond to 1Sigma* and 1Sigma**, respectively, of Heimer, 1936.
14Vibrational levels observed up to v=4. Levels with v geq 2 are strongly perturbed by C 1Sigma+. For details see Ringstrom, 1963.
15Broadening, increasing with J, of rotational levels in v=3 and 4. See 16 .
16Predissociations in B 0+, a 2, and C 1Sigma+ are due to interaction with an unstable 1 state arising from Au(2D5/2) + H(2S): see Ringstrom, 1963.
17D1 = 3.4E-4.

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.

Ringstrom, 1963
Ringstrom, U., Absorption spectrum of gold hydride in the ultra-violet, Nature (London), 1963, 198, 981. [all data]

Heimer, 1936
Heimer, T., Der isotopieeffekt des goldhydrids (AuH/AuD), Die Naturwissenschaften, 1936, 24, 78. [all data]

Farkas, 1929
Farkas, A., Uber die bildung von gasformigen goldhydrid, Z. Phys. Chem. Abt. B, 1929, 5, 467. [all data]


Notes

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