Mercury hydride
- Formula: HHg
- Molecular weight: 201.60
- CAS Registry Number: 13966-62-6
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | 57.000 | kcal/mol | Review | Chase, 1998 | Data last reviewed in June, 1963 |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas,1 bar | 52.512 | cal/mol*K | Review | Chase, 1998 | Data 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. to 1200. | 1200. to 6000. |
|---|---|---|
| A | 4.685811 | 8.834941 |
| B | 8.780041 | 0.527631 |
| C | -6.388880 | -0.011167 |
| D | 1.785401 | 0.000752 |
| E | 0.035281 | -0.468010 |
| F | 55.38401 | 53.17911 |
| G | 56.03021 | 61.43800 |
| H | 57.00010 | 57.00010 |
| Reference | Chase, 1998 | Chase, 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
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| D 2Σ+ 1 | [(4.7)] | [(1.89)] | D → X R | (37040) | ||||||||
| ↳Rydberg, 1932; Phillips and Davis, 1968 | ||||||||||||
| C 2Σ+ | [4.519] 2 | [34.8E-4] 3 | [1.9287] | C → X R | 35587.4 Z | |||||||
| ↳Rydberg, 1932; Phillips and Davis, 1968; Veseth, 1972 | ||||||||||||
| B 2Σ+ | [4,028] 4 | [16.27E-4] 5 | [2.0429] | B → X 6 R | 33876.47 Z | |||||||
| ↳Hulthen, 1928; Rydberg, 1932; Phillips and Davis, 1968; Veseth, 1972 | ||||||||||||
| A2 2Π3/2 | 28274 | 2068.24 7 Z | 43.04 8 | 6.7411 7 9 | 0.2295 10 | [2.818E-4] 7 11 | 1.5791 | A2 → X 12 V | 28616.23 13 Z | |||
| ↳Rydberg, 1932; Fujioka and Tanaka, 1938; Porter, 1962; Porter and Davis, 1962; Phillips and Davis, 1968 | ||||||||||||
| State | Te | ωe | ωexe | ωeye | Be | αe | γe | De | βe | re | Trans. | ν00 |
| A1 2Π1/2 | [1939.18] 7 Z | 14 | [6.5609] 7 15 16 | 17 | [2.850E-4] 7 18 | [1.6007] | A1 → 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 2Σ+ | 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
| 1 | Fragments only. |
| 2 | Spin doubling Δ ν12= [2.71 - 0.0093N(N+1)](N+1/2), increasing rapidly above N=17. See also Veseth, 1973. |
| 3 | H0 = +3.42E-6. |
| 4 | Spin doubling Δ ν12 = [1.11 - 0.00374N(N+1)](N+1/2), increasing very rapidly above N = 19. See also Veseth, 1973. |
| 5 | H0 = +2.04E-6. |
| 6 | Q branches weak in 0-0, strong in 0-1 and 0-2, not observed in 0-3. |
| 7 | These are effective constants; "true" vibronic energies and rotational constants calculated by Veseth, 1972. |
| 8 | ωexe= -0.0520(v+1/2)4 [v=0,..., 6]. |
| 9 | Perturbations. |
| 10 | αv= +0.00839(v+1/2)2 - 0.00130(v+1/2)3 [v=0,..., 6]. |
| 11 | D1(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. |
| 12 | Hg "nuclear" isotope shifts; see Porter and Davis, 1962. |
| 13 | Constants 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. |
| 14 | ΔG(3/2) = 1809.66,ΔG(5/2)= 1509.13. |
| 15 | Λ-type doubling Δνfe(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. |
| 16 | Magnetic hyperfine structure in X 2Σ+ and A1 2Π1/2 of 199HgH and 201HgH, see Porter and Davis, 1963, Eakin and Davis, 1970. |
| 17 | B1 = 6.3239, B2 = 6.0271(perturbation by v=0 of A2), B3 = 5.104 (very anomalous, see 18). |
| 18 | D1(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. |
| 19 | ΔG(3/2) = 965.34 Stwalley, 1975,ΔG(5/2)= 632.53 Stwalley, 1975,ΔG(7/2)= 167.82 Stwalley, 1975. G(0) = 681.2 Stwalley, 1975 |
| 20 | Spin doubling Δ ν12(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. |
| 21 | Predissociation 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. |
| 22 | B1= 4.9512, B2= 4.3473, B3= 3.2510, B4= 1.451. |
| 23 | D1(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. |
| 24 | ESR sp. 26 Potential curve |
| 25 | From the predissociation in X 2Σ+ of the hydride and deuteride Stwalley, 1975. See also Fig. 189 of MOLSPEC, Vol. 1. |
| 26 | In 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 2Π→2Σ of mercury hydride and deuteride. I. 2Σ 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
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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