Deuterium oxide
- Formula: D2O
- Molecular weight: 20.0276
- IUPAC Standard InChIKey: XLYOFNOQVPJJNP-ZSJDYOACSA-N
- CAS Registry Number: 7789-20-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Species with the same structure:
- Isotopologues:
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Gas phase thermochemistry data
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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 | -249.20 | kJ/mol | Review | Chase, 1998 | Data last reviewed in June, 1977 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 198.34 | J/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1977 |
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 (J/mol*K)
H° = standard enthalpy (kJ/mol)
S° = standard entropy (J/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1400. | 1400. to 6000. |
---|---|---|
A | 28.25510 | 50.44816 |
B | 15.31189 | 4.579848 |
C | 5.482086 | -0.742861 |
D | -3.744321 | 0.046434 |
E | 0.093623 | -10.48134 |
F | -258.0336 | -284.0928 |
G | 228.2882 | 235.7776 |
H | -249.2032 | -249.2032 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in June, 1977 | Data last reviewed in June, 1977 |
Phase change data
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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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 276.97 | K | N/A | Steckel and Szapiro, 1963 | Uncertainty assigned by TRC = 0.03 K; TRC |
Tfus | 276.97 | K | N/A | Taylor and Selwood, 1934 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 643.89 | K | N/A | Aleksandrov, 1986 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tc | 643.89 | K | N/A | Sifner, 1985 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tc | 0. | K | N/A | Riesenfeld and Chang, 1935 | TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 216.71 | bar | N/A | Aleksandrov, 1986 | Uncertainty assigned by TRC = 0.70 bar; TRC |
Pc | 216.71 | bar | N/A | Sifner, 1985 | Uncertainty assigned by TRC = 0.15 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 17.8 | mol/l | N/A | Aleksandrov, 1986 | Uncertainty assigned by TRC = 0.2 mol/l; TRC |
ρc | 17.8 | mol/l | N/A | Sifner, 1985 | Uncertainty assigned by TRC = 0.2 mol/l; TRC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
379. to 573. | 5.15107 | 1700.073 | -44.013 | Liu and Lindsay, 1970 | Coefficents calculated by NIST from author's data. |
Reaction thermochemistry data
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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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
DO- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1636.61 ± 0.25 | kJ/mol | D-EA | Schulz, Mead, et al., 1982 | gas phase; Given: 1.822549(37) eV. Derived acidity is for DOH -> DO- + H+; B |
ΔrH° | 1642.6 ± 0.42 | kJ/mol | D-EA | Schulz, Mead, et al., 1982 | gas phase; For D2O -> DO- + D+. BDE: 120.96±0.05 Qian, Song, et al., 2002 ΔSacid: 23.2; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1610.2 ± 0.67 | kJ/mol | H-TS | Schulz, Mead, et al., 1982 | gas phase; Given: 1.822549(37) eV. Derived acidity is for DOH -> DO- + H+; B |
ΔrG° | 1613.4 ± 0.42 | kJ/mol | H-TS | Schulz, Mead, et al., 1982 | gas phase; For D2O -> DO- + D+. BDE: 120.96±0.05 Qian, Song, et al., 2002 ΔSacid: 23.2; B |
By formula: F- + D2O = (F- • D2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 96.2 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1988 | gas phase; Anchored to Arshadi, Yamdagni, et al., 1970: HOH..F- + DOD <=> DOD..F- + HOH, Keq=0.66; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 74.5 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1988 | gas phase; Anchored to Arshadi, Yamdagni, et al., 1970: HOH..F- + DOD <=> DOD..F- + HOH, Keq=0.66; B,M |
By formula: DO- + D2O = (DO- • D2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 112.1 ± 2.9 | kJ/mol | TDAs | Meot-ner and Sieck, 1986 | gas phase; B |
ΔrH° | 94.1 ± 8.4 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 84.1 ± 4.6 | kJ/mol | TDAs | Meot-ner and Sieck, 1986 | gas phase; B |
ΔrG° | 70.7 ± 8.4 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
By formula: Cl- + D2O = (Cl- • D2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.50 ± 0.84 | kJ/mol | IMRE | Larson and McMahon, 1988 | gas phase; Anchored to Keesee and Castleman, 19802: HOH..Cl- + DOD <=> DOD..Cl- + HOH, Keq=0.77; B |
By formula: HO- + D2O = (HO- • D2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 112. | kJ/mol | PHPMS | Meot-ner and Sieck, 1986 | gas phase; OD-, D2O; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92.9 | J/mol*K | PHPMS | Meot-ner and Sieck, 1986 | gas phase; OD-, D2O; M |
By formula: (DO- • 2D2O) + D2O = (DO- • 3D2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 63.2 ± 4.2 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 32.2 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
By formula: (DO- • 3D2O) + D2O = (DO- • 4D2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.4 ± 4.2 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 23.0 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
By formula: (DO- • 4D2O) + D2O = (DO- • 5D2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.0 ± 4.2 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.6 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
By formula: (DO- • D2O) + D2O = (DO- • 2D2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68.6 ± 4.2 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 44.77 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 101. ± 7.5 | kJ/mol | PDis | Deyerl, Clements, et al., 2001 | gas phase; B |
By formula: D2O2- + 2D2O = D4O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 78.2 ± 7.5 | kJ/mol | LPES | Clements, Luong, et al., 2001 | gas phase; B |
Gas phase ion energetics data
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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 as indicated in comments:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
12.6395 ± 0.0003 | PE | Reutt, Wang, et al., 1986 | LBLHLM |
12.65 ± 0.03 | EI | Lefaivre and Marmet, 1978 | LLK |
12.637 | S | Gurtler, Saile, et al., 1977 | LLK |
12.639 | PE | Botter and Carlier, 1977 | LLK |
12.637 | PE | Dixon, Duxbury, et al., 1976 | LLK |
12.633 ± 0.001 | PE | Karlsson, Mattson, et al., 1975 | LLK |
12.633 ± 0.001 | PE | Bergmark, Karlsson, et al., 1974 | LLK |
12.636 ± 0.006 | S | Katayama, Huffman, et al., 1973 | LLK |
12.633 | PE | Asbrink and Rabalais, 1971 | LLK |
12.62 ± 0.01 | PE | Brundle and Turner, 1968 | RDSH |
13.7 | PE | Brundle and Turner, 1968 | RDSH |
17.26 | PE | Brundle and Turner, 1968 | RDSH |
12.637 ± 0.005 | PI | Brehm, 1966 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
D+ | 18.75 ± 0.05 | OD | PE | Eland, 1974 | LLK |
D+ | 18.7 ± 0.05 | OD(X2P) | EI | Appell and Durup, 1973 | LLK |
OD+ | 18.219 ± 0.008 | D | PI | McCulloh, 1976 | LLK |
OD+ | 18.19 ± 0.03 | D | PE | Eland, 1974 | LLK |
O+ | 29.3 ± 0.3 | 2D? | EI | Cottin, 1959 | RDSH |
Ion clustering data
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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 as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: Cl- + D2O = (Cl- • D2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.50 ± 0.84 | kJ/mol | IMRE | Larson and McMahon, 1988 | gas phase; Anchored to Keesee and Castleman, 19802: HOH..Cl- + DOD <=> DOD..Cl- + HOH, Keq=0.77; B |
By formula: DO- + D2O = (DO- • D2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 112.1 ± 2.9 | kJ/mol | TDAs | Meot-ner and Sieck, 1986 | gas phase; B |
ΔrH° | 94.1 ± 8.4 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 84.1 ± 4.6 | kJ/mol | TDAs | Meot-ner and Sieck, 1986 | gas phase; B |
ΔrG° | 70.7 ± 8.4 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
By formula: (DO- • D2O) + D2O = (DO- • 2D2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 68.6 ± 4.2 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 44.77 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
By formula: (DO- • 2D2O) + D2O = (DO- • 3D2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 63.2 ± 4.2 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 32.2 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
By formula: (DO- • 3D2O) + D2O = (DO- • 4D2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.4 ± 4.2 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 23.0 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
By formula: (DO- • 4D2O) + D2O = (DO- • 5D2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.0 ± 4.2 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.6 | kJ/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
By formula: D2O2- + 2D2O = D4O3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 78.2 ± 7.5 | kJ/mol | LPES | Clements, Luong, et al., 2001 | gas phase; B |
By formula: F- + D2O = (F- • D2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 96.2 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1988 | gas phase; Anchored to Arshadi, Yamdagni, et al., 1970: HOH..F- + DOD <=> DOD..F- + HOH, Keq=0.66; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 74.5 ± 8.4 | kJ/mol | IMRE | Larson and McMahon, 1988 | gas phase; Anchored to Arshadi, Yamdagni, et al., 1970: HOH..F- + DOD <=> DOD..F- + HOH, Keq=0.66; B,M |
By formula: HO- + D2O = (HO- • D2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 112. | kJ/mol | PHPMS | Meot-ner and Sieck, 1986 | gas phase; OD-, D2O; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 92.9 | J/mol*K | PHPMS | Meot-ner and Sieck, 1986 | gas phase; OD-, D2O; M |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 101. ± 7.5 | kJ/mol | PDis | Deyerl, Clements, et al., 2001 | gas phase; B |
IR Spectrum
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Download spectrum in JCAMP-DX format.
Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Vibrational and/or electronic energy levels
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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: Takehiko Shimanouchi
Symmetry: C2ν Symmetry Number σ = 2
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1 | 1 | Sym str | 2671 | A | 2671.46 | gas | 2666 | gas | ||
a1 | 2 | Bend | 1178 | A | 1178.33 | gas | ||||
b1 | 3 | Anti str | 2788 | A | 2788.05 | gas | ||||
Source: Shimanouchi, 1972
Notes
A | 0~1 cm-1 uncertainty |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Vibrational and/or electronic energy levels, Site Links, NIST Free Links, 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]
Steckel and Szapiro, 1963
Steckel, F.; Szapiro, S.,
Physical Prop. of Heavy Oxygen Water Part 1. Density and Thermal Expansion,
Trans. Faraday Soc., 1963, 59, 331-43. [all data]
Taylor and Selwood, 1934
Taylor, H.S.; Selwood, P.W.,
Some Properties of Heavy Water,
J. Am. Chem. Soc., 1934, 56, 998. [all data]
Aleksandrov, 1986
Aleksandrov, A.A.,
Critical Parameters of Ordinary and Heavy Water,
Teploenergetika, 1986, No. 1, 74. [all data]
Sifner, 1985
Sifner, O.,
Recommended Values of Critical Parameters of Ordinary and Heavy Water,
Chem. Listy, 1985, 79, 199. [all data]
Riesenfeld and Chang, 1935
Riesenfeld, E.H.; Chang, T.L.,
The Critical Data of Light and Heavy Water and the Density-Temperature Diagrams.,
Z. Phys. Chem., Abt. B, 1935, 30, 61-8. [all data]
Liu and Lindsay, 1970
Liu, C.-T.; Lindsay, W.T., Jr.,
Vapor Pressure of D2O from 106 to 300 ºC,
J. Chem. Eng. Data, 1970, 15, 4, 510-513, https://doi.org/10.1021/je60047a015
. [all data]
Schulz, Mead, et al., 1982
Schulz, P.A.; Mead, R.D.; Jones, P.L.; Lineberger, W.C.,
OH- and OD- threshold photodetachment,
J. Chem. Phys., 1982, 77, 1153. [all data]
Qian, Song, et al., 2002
Qian, X.M.; Song, Y.; Lau, K.C.; Ng, C.Y.; Liu, J.B.; Chen, W.W.; He, G.Z.,
A pulsed field ionization photoelectron-photoion coincidence study of the dissociative photoionization process D2O+h nu - OD++D+e(-),
Chem. Phys. Lett., 2002, 353, 1-2, 19-26, https://doi.org/10.1016/S0009-2614(01)01442-7
. [all data]
Larson and McMahon, 1988
Larson, J.W.; McMahon, T.B.,
Equilibrium Isotope Effects on the Hydration of Gas Phase Ions. The Effect of H-Bond Formation on Deuterium Isotopic Fractionation Factors for H3O+,H5O2+,F(HOH)-, and Cl(HOH)-,
J. Am. Chem. Soc., 1988, 110, 4, 1087, https://doi.org/10.1021/ja00212a015
. [all data]
Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P.,
Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions,
J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014
. [all data]
Meot-ner and Sieck, 1986
Meot-ner, M.; Sieck, L.W.,
Relative acidities of water and methanol, and the stabilities of the dimer adducts,
J. Phys. Chem., 1986, 90, 6687. [all data]
Arshadi and Kebarle, 1970
Arshadi, M.; Kebarle, P.,
Hydration of OH- and O2- in the Gas Phase. Comparative Solvation of OH- by Water and the Hydrogen Halides. Effect of Acidity,
J. Phys. Chem., 1970, 74, 7, 1483, https://doi.org/10.1021/j100702a015
. [all data]
Keesee and Castleman, 1980
Keesee, R.G.; Castleman, A.W., Jr.,
Heats of formation of SO2Cl- and (SO2)2Cl-,
J. Am. Chem. Soc., 1980, 102, 1446. [all data]
Deyerl, Clements, et al., 2001
Deyerl, H.J.; Clements, T.G.; Luong, A.K.; Continetti, R.E.,
Transition state dynamics of the OH+OH - O+H2O reaction studied by dissociative photodetachment of H2O2-,
J. Chem. Phys., 2001, 115, 15, 6931-6940, https://doi.org/10.1063/1.1404148
. [all data]
Clements, Luong, et al., 2001
Clements, T.G.; Luong, A.K.; Deyerl, H.J.; Continetti, R.E.,
Dissociative photodetachment studies of O-(H2O)(2), OH- (H2O)(2), and the deuterated isotopomers: Energetics and three- body dissociation dynamics,
J. Chem. Phys., 2001, 114, 19, 8436-8444, https://doi.org/10.1063/1.1366332
. [all data]
Reutt, Wang, et al., 1986
Reutt, J.E.; Wang, L.S.; Lee, Y.T.; Shirley, D.A.,
Molecular beam photoelectron spectroscopy and femtosecond intramolecular dynamics of H2O+ and D2O+,
J. Chem. Phys., 1986, 85, 6928. [all data]
Lefaivre and Marmet, 1978
Lefaivre, D.; Marmet, P.,
Electroionization of D2O and H2O and study of fragments H+ and OH+,
Can. J. Phys., 1978, 56, 1549. [all data]
Gurtler, Saile, et al., 1977
Gurtler, P.; Saile, V.; Koch, E.E.,
Rydberg series in the absorption spectra of H2O and D2O in the vacuum ultraviolet,
Chem. Phys. Lett., 1977, 51, 386. [all data]
Botter and Carlier, 1977
Botter, R.; Carlier, J.,
Spectre de photoelectrons et calcul des facteurs de Franck-Condon pour H2O, D2O, HDO,
J. Electron Spectrosc. Relat. Phenom., 1977, 12, 55. [all data]
Dixon, Duxbury, et al., 1976
Dixon, R.N.; Duxbury, G.; Rabalais, J.W.; Asbrink, L.,
Rovibronic structure in the photoelectron spectra of H2O, D2O and HDO,
Mol. Phys., 1976, 31, 423. [all data]
Karlsson, Mattson, et al., 1975
Karlsson, L.; Mattson, L.; Jadrny, R.; Albridge, R.G.; Pinchas, S.; Bergmark, T.; Siegbahn, K.,
Isotopic and vibronic coupling effects in the valence electron spectra of H216O, H218O, and D216O,
J. Chem. Phys., 1975, 62, 4745. [all data]
Bergmark, Karlsson, et al., 1974
Bergmark, T.; Karlsson, L.; Jadrny, R.; Mattsson, L.; Albridge, R.G.; Siegbahn, K.,
Isotopic effects in the electron spectra of H216O, H218O, and D216O,
J. Electron Spectrosc. Relat. Phenom., 1974, 4, 85. [all data]
Katayama, Huffman, et al., 1973
Katayama, D.H.; Huffman, R.E.; O'Bryan, C.L.,
Absorption and photoionization cross sections for H2O and D2O in the vacuum ultraviolet,
J. Chem. Phys., 1973, 59, 4309. [all data]
Asbrink and Rabalais, 1971
Asbrink, L.; Rabalais, J.W.,
Comments on the high resolution photoelectron spectrum of H2O and D2O,
Chem. Phys. Lett., 1971, 12, 182. [all data]
Brundle and Turner, 1968
Brundle, C.R.; Turner, D.W.,
High resolution molecular photoelectron spectroscopy. II.Water and deuterium oxide,
Proc. Roy. Soc. (London), 1968, A307, 27. [all data]
Brehm, 1966
Brehm, B.,
Massenspektrometrische Untersuchung der Photoionisation von Molekulen,
Z. Naturforsch., 1966, 21a, 196. [all data]
Eland, 1974
Eland, J.H.D.,
Predissociation of triatomic ions studied by photoelectron-photoion coincidence spectroscopy,
Adv. Mass Spectrom., 1974, 6, 917. [all data]
Appell and Durup, 1973
Appell, J.; Durup, J.,
The formation of protons by impact of low energy electrons on water molecules,
Int. J. Mass Spectrom. Ion Phys., 1973, 10, 247. [all data]
McCulloh, 1976
McCulloh, K.E.,
Energetics and mechanisms of fragment ion formation in the photoionization of normal and deuterated water and ammonia,
Int. J. Mass Spectrom. Ion Phys., 1976, 21, 333. [all data]
Cottin, 1959
Cottin, M.,
Etude des ions produits par impact electronique dans la vapeur d'eau,
J. Chim. Phys., 1959, 56, 1024. [all data]
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy Pc Critical pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) Tc Critical temperature Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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