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Mercury hydride


Gas phase thermochemistry data

Go To: Top, Constants of diatomic molecules, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Quantity Value Units Method Reference Comment
Deltafgas57.000kcal/molReviewChase, 1998Data last reviewed in June, 1963
Quantity Value Units Method Reference Comment
gas,1 bar52.512cal/mol*KReviewChase, 1998Data last reviewed in June, 1963

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (cal/mol*K)
    H° = standard enthalpy (kcal/mol)
    S° = standard entropy (cal/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 1200.1200. - 6000.
A 4.6858118.834941
B 8.7800410.527631
C -6.388880-0.011167
D 1.7854010.000752
E 0.035281-0.468010
F 55.3840153.17911
G 56.0302161.43800
H 57.0001057.00010
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1963 Data last reviewed in June, 1963

Constants of diatomic molecules

Go To: Top, Gas phase thermochemistry data, References, Notes

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 January, 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 (202)HgH
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
D 2Sigma+ 1     [(4.7)]     [(1.89)] D rarrow X R (37040)
Rydberg, 1932; Phillips and Davis, 1968
C 2Sigma+     [4.519] 2   [34.8E-4] 3  [1.9287] C rarrow X R 35587.4 Z
Rydberg, 1932; Phillips and Davis, 1968; Veseth, 1972
B 2Sigma+     [4,028] 4   [16.27E-4] 5  [2.0429] B rarrow X 6 R 33876.47 Z
Hulthen, 1928; Rydberg, 1932; Phillips and Davis, 1968; Veseth, 1972
A2 2Pi3/2 28274 2068.24 7 Z 43.04 8  6.7411 7 9 0.2295 10  [2.818E-4] 7 11  1.5791 A2 rarrow X 12 V 28616.23 13 Z
Rydberg, 1932; Fujioka and Tanaka, 1938; Porter, 1962; Porter and Davis, 1962; Phillips and Davis, 1968
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A1 2Pi1/2  [1939.18] 7 Z 14  [6.5609] 7 15 16 17  [2.850E-4] 7 18  [1.6007] A1 rarrow X 12 VR 24933.10 13 Z
Rydberg, 1932; Fujioka and Tanaka, 1938; missing citation; Porter and Davis, 1962; Porter and Davis, 1963; Phillips and Davis, 1968; missing citation; Stwalley, 1975
X 2Sigma+ 0 [1203.24] 7 Z 19  [5.3888] 7 16 20 21 22  [3.953E-4] 7 23  [1.76620] 24  
Kosman and Hinze, 1975; Stwalley, 1975

Notes

1Fragments only.
2Spin doubling Delta nu12= [2.71 - 0.0093N(N+1)](N+1/2), increasing rapidly above N=17. See also Veseth, 1973.
3H0 = +3.42E-6.
4Spin doubling Delta nu12 = [1.11 - 0.00374N(N+1)](N+1/2), increasing very rapidly above N = 19. See also Veseth, 1973.
5H0 = +2.04E-6.
6Q branches weak in 0-0, strong in 0-1 and 0-2, not observed in 0-3.
7These are effective constants; "true" vibronic energies and rotational constants calculated by Veseth, 1972.
8omegaexe= -0.0520(v+1/2)4 [v=0,..., 6].
9Perturbations.
10alphav= +0.00839(v+1/2)2 - 0.00130(v+1/2)3 [v=0,..., 6].
11D1(E-4 cm-1)= 2.880, D2(E-4 cm-1)= 2.867, D3(E-4 cm-1)= 3.182; H0(E-8 cm-1) = +0.09, H1(E-8 cm-1)= +0.07, H2(E-8 cm-1)= -5.4, H3(E-8 cm-1)= +2.46.
12Hg "nuclear" isotope shifts; see Porter and Davis, 1962.
13Constants in Phillips and Davis, 1968 are slightly different since they refer to J' = 1/2 or 3/2 instead of {J'= 0} relative to N"= 0.
14DeltaG(3/2) = 1809.66,DeltaG(5/2)= 1509.13.
15Lambda-type doubling Deltanufe(v=0) = +3.360(J+1/2)- ... Phillips and Davis, 1968; decreasing with increasing v, but very anomalous in v=3. See also Veseth, 1973.
16Magnetic hyperfine structure in X 2Sigma+ and A1 2Pi1/2 of 199HgH and 201HgH, see Porter and Davis, 1963, Eakin and Davis, 1970.
17B1 = 6.3239, B2 = 6.0271(perturbation by v=0 of A2), B3 = 5.104 (very anomalous, see 18).
18D1(E-4 cm-1) = 2.952, D2(E-4 cm-1)= 3.462, D3(E-4 cm-1)= -18.42; H0(E-8 cm-1) = +0.082, H1(E-8 cm-1)= -1.21, H2(E-8 cm-1)= -18.4, H3(E-8 cm-1)= -31.
19DeltaG(3/2) = 965.34 Stwalley, 1975,DeltaG(5/2)= 632.53 Stwalley, 1975,DeltaG(7/2)= 167.82 Stwalley, 1975. G(0) = 681.2 Stwalley, 1975
20Spin doubling Delta nu12(v=0) = +2.144(N+1/2) - ... Fujioka and Tanaka, 1938, Eakin and Davis, 1970; decreasing rapidly with increasing v Fujioka and Tanaka, 1938, Eakin and Davis, 1970.
21Predissociation by rotation. Lines with N" > 29, 22, 15 in v" = 0,1,2, respectively, are broad. Lines with N" > 30, 24, 18, 8, 6 in v"=0, ..., 4, respectively, are absent Rydberg, 1933, Porter, 1962*, Eakin and Davis, 1970.
22B1= 4.9512, B2= 4.3473, B3= 3.2510, B4= 1.451.
23D1(E-4 cm-1) = 5.016, D2(E-4 cm-1)= 8.08, D3(E-4 cm-1)= 33.87, D4(E-4 cm-1)= 40.7; H0(E-8 cm-1) = -0.06, H1(E-8 cm-1)= -4.99, H2(E-8 cm-1)= -21.4, H3(E-8 cm-1)= -1490; higher order constants in Phillips and Davis, 1968.
24ESR sp. 26 Potential curve
25From the predissociation in X 2Sigma+ of the hydride and deuteride Stwalley, 1975. See also Fig. 189 of MOLSPEC, Vol. 1.
26In solid Ar matrix at 4 K Knight and Weltner, 1971.

References

Go To: Top, Gas phase thermochemistry data, 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.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Rydberg, 1932
Rydberg, R., Uber das bandenspektrum des quecksilberhydrids, Z. Phys., 1932, 73, 74. [all data]

Phillips and Davis, 1968
Phillips, J.G.; Davis, S.P., Berkely analyses of molecular spectra, Pub. University of California Press, Berkeley and Los Angeles, 1968, 0. [all data]

Veseth, 1972
Veseth, L., Fine structure and perturbations in the electronic spectra of HgH and HgD, J. Mol. Spectrosc., 1972, 44, 251. [all data]

Hulthen, 1928
Hulthen, E., Neuere unterschungen uber das bandenspektrum des quecksilberhydrids, Z. Phys., 1928, 50, 319. [all data]

Fujioka and Tanaka, 1938
Fujioka, Y.; Tanaka, Y., On the molecular spectra 2«PI»-->2«SIGMA» of mercury hydride and deuteride. I. 2«SIGMA» state, Sci. Pap. Inst. Phys. Chem. Res. Jpn., 1938, 34, 713. [all data]

Porter, 1962
Porter, T.L., Band-spectrum analysis of mercury hydride, J. Opt. Soc. Am., 1962, 52, 11, 1201-1205. [all data]

Porter and Davis, 1962
Porter, T.L.; Davis, S.P., Isotope shift in the spectrum of mercury hydride, J. Opt. Soc. Am., 1962, 52, 1206. [all data]

Porter and Davis, 1963
Porter, T.L.; Davis, S.P., Hyperfine structure in the spectrum of mercury hydride, J. Opt. Soc. Am., 1963, 53, 338. [all data]

Stwalley, 1975
Stwalley, W.C., Mass-reduced quantum numbers: application to the isotopic mercury hydrides, J. Chem. Phys., 1975, 63, 3062. [all data]

Kosman and Hinze, 1975
Kosman, W.M.; Hinze, J., Inverse perturbation analysis: improving the accuracy of potential energy curves, J. Mol. Spectrosc., 1975, 56, 93. [all data]

Veseth, 1973
Veseth, L., Hund's coupling case (c) in diatomic molecules. II. Examples, J. Phys. B:, 1973, 6, 1484. [all data]

Eakin and Davis, 1970
Eakin, D.M.; Davis, S.P., Band spectra and hyperfine structure of HgH, HgD, and HgT, J. Mol. Spectrosc., 1970, 35, 27. [all data]

Rydberg, 1933
Rydberg, R., Uber einige potentialkurven des quecksilberhydrids, Z. Phys., 1933, 80, 514. [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, Gas phase thermochemistry data, Constants of diatomic molecules, References