NO3 anion
- Formula: NO3-
- Molecular weight: 62.0054
- IUPAC Standard InChIKey: NHNBFGGVMKEFGY-UHFFFAOYSA-N
- CAS Registry Number: 14797-55-8
- Chemical structure:
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Reaction thermochemistry data
Go To: Top, Vibrational and/or electronic energy levels, References, Notes
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
By formula: NO3- + H2O = (NO3- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.60 ± 0.20 | kcal/mol | N/A | Lee, Keesee, et al., 1980 | gas phase; B,M |
ΔrH° | 14.1 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 12.40 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B,M |
ΔrH° | 14.8 | kcal/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
ΔrH° | 19.2 | kcal/mol | FA | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.0 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
ΔrS° | 25. | cal/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 21.3 | cal/mol*K | FA | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO3-)H2O; Lee, Keesee, et al., 1980; M |
ΔrS° | 19.1 | cal/mol*K | HPMS | Payzant, Yamdagni, et al., 1971 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.20 ± 0.30 | kcal/mol | TDAs | Lee, Keesee, et al., 1980 | gas phase; B |
ΔrG° | 7.10 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 7.30 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
ΔrG° | 6.70 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.8 | 250. | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
6.8 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
7.0 | 300. | SAMS | Payzant, Cunningham, et al., 1972 | gas phase; M |
By formula: (NO3- • HNO3) + HNO3 = (NO3- • 2HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.3 ± 1.0 | kcal/mol | TDAs | Davidson, Fehsenfeld, et al., 1977 | gas phase; B,M |
ΔrH° | 16.00 ± 0.80 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
ΔrH° | 18.4 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
ΔrH° | 17.7 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
ΔrH° | 20.0 | kcal/mol | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 22.1 | cal/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; M |
ΔrS° | 25. | cal/mol*K | N/A | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 23.1 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.7 ± 2.2 | kcal/mol | TDAs | Davidson, Fehsenfeld, et al., 1977 | gas phase; B,M |
ΔrG° | 9.00 ± 0.30 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12.6 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
13.8 | 250. | ATM | Arnold and Qiu, 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: NO3- + O2S = (NO3- • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.2 ± 2.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M |
ΔrH° | 18.2 ± 1.2 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1983 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.2 | cal/mol*K | N/A | Bohringer, Fahey, et al., 1984 | gas phase; switching reaction(NO3-)H2O, Entropy change calculated or estimated; Lee, Keesee, et al., 1980; M |
ΔrS° | 31.6 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.6 ± 2.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B,M |
ΔrG° | 10.00 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
ΔrG° | 8.80 ± 0.90 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1983 | gas phase; B |
ΔrG° | 10.6 | kcal/mol | FA | Fehsenfeld and Ferguson, 1974 | gas phase; switching reaction(NO3-)SO2, Entropy change calculated or estimated; Lee, Keesee, et al., 1980; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
10.0 | 299. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (NO3- • 2HNO3) + HNO3 = (NO3- • 3HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.1 ± 1.0 | kcal/mol | TDAs | Davidson, Fehsenfeld, et al., 1977 | gas phase; B,M |
ΔrH° | 13.9 ± 1.4 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
ΔrH° | 16.0 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
ΔrH° | 16.0 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
ΔrS° | 28.9 | cal/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; M |
ΔrS° | 26.7 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.4 ± 2.2 | kcal/mol | TDAs | Davidson, Fehsenfeld, et al., 1977 | gas phase; B |
ΔrG° | 5.90 ± 0.40 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
ΔrG° | 6.9 | kcal/mol | FA | Fehsenfeld, Howard, et al., 1975 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
10.2 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (NO3- • H2O) + H2O = (NO3- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 14.3 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 30.3 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 5.20 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.2 | 301. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
5.0 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 324.50 ± 0.20 | kcal/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; Relative to HBr, reevaluated with current HBr acidity. Excited state at 3.0 eV,81WU /TIE.; B |
ΔrH° | 329.9 ± 4.8 | kcal/mol | NBAE | Mathur, Rothe, et al., 1976 | gas phase; From HNO3; B |
ΔrH° | 329.1 ± 5.8 | kcal/mol | Endo | Refaey and Franklin, 1976 | gas phase; I- + HNO3 ->.; B |
ΔrH° | 324.50 ± 0.50 | kcal/mol | TDEq | Ferguson, Dunkin, et al., 1972 | gas phase; B |
ΔrH° | 356.30 | kcal/mol | Endo | Berkowitz, Chupka, et al., 1971 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 317.80 ± 0.20 | kcal/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; Relative to HBr, reevaluated with current HBr acidity. Excited state at 3.0 eV,81WU /TIE.; B |
By formula: (NO3- • 2H2O) + H2O = (NO3- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.9 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 13.8 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.2 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.90 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: NO3- + HBr = (NO3- • HBr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 23. | cal/mol*K | N/A | Davidson, Fehsenfeld, et al., 1977 | gas phase; switching reaction(NO3-)HNO3, Entropy change calculated or estimated, DG<, ΔrH<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.4 ± 3.9 | kcal/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; Anchored to HBr..Br- in Caldwell and Kebarle, 1985.; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12.7 | 367. | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; switching reaction(NO3-)HNO3, Entropy change calculated or estimated, DG<, ΔrH<; M |
By formula: (NO3- • HNO3) + H2O = (NO3- • H2O • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.0 | kcal/mol | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.3 | 233. | ATM | Arnold, Viggiano, et al., 1982 | gas phase; Entropy change calculated or estimated; M |
By formula: (NO3- • 3HNO3) + HNO3 = (NO3- • 4HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.3 ± 1.3 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.9 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.20 ± 0.40 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
ΔrG° | 6.9 ± 1.0 | kcal/mol | IMRE | Fehsenfeld, Howard, et al., 1975 | gas phase; B |
By formula: (NO3- • HNO3) + HBr = (NO3- • HBr • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.0 | kcal/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; switching reaction(NO3-)2HNO3; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.9 | cal/mol*K | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; switching reaction(NO3-)2HNO3; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.2 | kcal/mol | FA | Davidson, Fehsenfeld, et al., 1977 | gas phase; switching reaction(NO3-)2HNO3; M |
By formula: (NO3- • 5HNO3) + HNO3 = (NO3- • 6HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.60 ± 0.90 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 7.3 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.40 ± 0.70 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
By formula: NO3- + H2O2 = (NO3- • H2O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.2 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 12.8 ± 1.0 | kcal/mol | TDEq | Bohringer, Fahey, et al., 1984 | gas phase; Relative to HOH..NO3-, Keesee, Lee, et al., 1980; B |
By formula: (NO3- • 4HNO3) + HNO3 = (NO3- • 5HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.4 ± 1.2 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.6 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.9 ± 1.0 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1980 | gas phase; B |
By formula: (NO3- • O2S) + O2S = (NO3- • 2O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.8 | kcal/mol | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 14.1 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983 | gas phase; Entropy change is questionable; M |
By formula: (NO3- • C2H5NO3) + C2H5NO3 = (NO3- • 2C2H5NO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.2 | kcal/mol | HPMS | Wlodek, Luczynski, et al., 1983, 2 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 8.7 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983, 2 | gas phase; Entropy change is questionable; M |
By formula: (NO3- • O2S) + H2O = (NO3- • H2O • O2S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 4.30 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.3 | 299. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (NO3- • HBr) + HNO3 = (NO3- • HNO3 • HBr)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.0 ± 2.0 | kcal/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.6 ± 2.8 | kcal/mol | TDEq | Davidson, Fehsenfeld, et al., 1977 | gas phase; B |
By formula: (NO3- • H2Se) + H2Se = (NO3- • 2H2Se)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.20 ± 0.50 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1983, 2 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.60 ± 0.70 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1983, 2 | gas phase; B |
By formula: NO3- + H2Se = (NO3- • H2Se)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.20 ± 0.60 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1983, 2 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.60 ± 0.50 | kcal/mol | TDAs | Wlodek, Luczynski, et al., 1983, 2 | gas phase; B |
By formula: (NO3- • H2O) + O2S = (NO3- • O2S • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 7.2 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; From thermochemical cycle,switching reaction, electric fields; M |
By formula: NO3- + HNO3 = (NO3- • HNO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrS° | 24. | cal/mol*K | N/A | Davidson, Fehsenfeld, et al., 1977 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
By formula: NO3- + C2H5NO3 = (NO3- • C2H5NO3)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.2 | kcal/mol | HPMS | Wlodek, Luczynski, et al., 1983, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 32.2 | cal/mol*K | HPMS | Wlodek, Luczynski, et al., 1983, 2 | gas phase; M |
By formula: NO3- + CO2 = (NO3- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 2.70 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B,M |
+
+
= C4H10NO6-
By formula: NO3- + H2O + C4H8O2 = C4H10NO6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 3.80 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
+
+
= C3H8NO6-
By formula: NO3- + H2O + C3H6O2 = C3H8NO6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 3.90 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
+
= ClN2O6-
By formula: NO3- + ClNO3 = ClN2O6-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.3 ± 5.7 | kcal/mol | IMRB | Wincel, Mereand, et al., 1997 | gas phase; B |
+
= C4H8NO5-
By formula: NO3- + C4H8O2 = C4H8NO5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 12.80 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
+
= C3H6NO5-
By formula: NO3- + C3H6O2 = C3H6NO5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 12.00 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 2000 | gas phase; B |
+
= CH2NO5-
By formula: NO3- + CH2O2 = CH2NO5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 11.40 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 1998 | gas phase; B |
+
= C2H4NO5-
By formula: NO3- + C2H4O2 = C2H4NO5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 11.80 ± 0.20 | kcal/mol | IMRE | Viidanoja, Reiner, et al., 1998 | gas phase; B |
Vibrational and/or electronic energy levels
Go To: Top, Reaction 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: Marilyn E. Jacox
State: ?
Energy (cm-1) |
Med. | Transition | λmin (nm) |
λmax (nm) |
References | ||
---|---|---|---|---|---|---|---|
Td = 31760 ± 110 | gas | Weaver, Arnold, et al., 1991 | |||||
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
e' | 3 | NO3 stretch | 1356.2 | Ne | IR | Forney, Thompson, et al., 1993 | |
Additional references: Jacox, 1998, page 259
Notes
d | Photodissociation threshold |
References
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Lee, Keesee, et al., 1980
Lee, N.; Keesee, R.G.; Castleman, A.W., Jr.,
The properties of clusters in the gas phase. IV. Complexes of H2O and HNOx clustering on NOx-,
J. Chem. Phys., 1980, 72, 1089. [all data]
Blades, Klassen, et al., 1995
Blades, A.T.; Klassen, J.S.; Kebarle, P.,
Free Energies of Hydration in the Gas Phase on the Anions of Some Oxo Acids of C, N, S, P, Cl and I,
J. Am. Chem. Soc., 1995, 117, 42, 10563, https://doi.org/10.1021/ja00147a019
. [all data]
Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P.,
Hydration of CN-, NO2-, NO3-, and HO- in the gas phase,
Can. J. Chem., 1971, 49, 3308. [all data]
Arnold and Qiu, 1984
Arnold, F.; Qiu, S.,
Upper Stratosphere Negative Ion Composition Measurements and Infrared Trace Gas Abundances,
Planet. Space Sci., 1984, 32, 2, 169, https://doi.org/10.1016/0032-0633(84)90151-X
. [all data]
Bohringer, Fahey, et al., 1984
Bohringer, H.; Fahey, D.W.; Fehsenfeld, F.C.; Ferguson, E.E.,
Bond energies of the molecules H2O, SO2, H2O2, and HCl to various atmospheric negative ions,
J. Chem. Phys., 1984, 81, 2805. [all data]
Banic and Iribarne, 1985
Banic, C.M.; Iribarne, J.V.,
Equilibrium Constants for Clustering of Neutral Molecules about Gaseous Ions,
J. Chem. Phys., 1985, 83, 12, 6432, https://doi.org/10.1063/1.449543
. [all data]
Fehsenfeld and Ferguson, 1974
Fehsenfeld, F.C.; Ferguson, E.E.,
Laboratory studies of negative ion reactions with atmospheric trace constituents,
J. Chem. Phys., 1974, 61, 3181. [all data]
Payzant, Cunningham, et al., 1972
Payzant, J.D.; Cunningham, A.J.; Kebarle, P.,
Kinetics and Rate Constants of Reactions Leading to Hydration of NO2- and NO3- in Gaseous Oxygen, Argon, and Helium Containing Traces of Water,
Can. J. Chem., 1972, 50, 14, 2230, https://doi.org/10.1139/v72-358
. [all data]
Davidson, Fehsenfeld, et al., 1977
Davidson, J.A.; Fehsenfeld, F.C.; Howard, C.J.,
The heats of formation of NO3- and NO3- association complexes with HNO3 and HBr,
Int. J. Chem. Kinet., 1977, 9, 17. [all data]
Wlodek, Luczynski, et al., 1980
Wlodek, S.; Luczynski, Z.; Wincel, H.,
Stabilities of gas-phase NO3-.(HNO3)n,n ≤ 6, clusters,
Int. J. Mass Spectrom. Ion Phys., 1980, 35, 39. [all data]
Arnold, Viggiano, et al., 1982
Arnold, F.; Viggiano, A.A.; Schlager, H.,
Implications for Trace Gases and Aerosols of Large Negative Ions Clusters in the Stratosphere,
Nature, 1982, 297, 5865, 371, https://doi.org/10.1038/297371a0
. [all data]
Keesee, Lee, et al., 1980
Keesee, R.G.; Lee, N.; Castleman, A.W., Jr.,
Properties of clusters in the gas phase: V. Complexes of neutral molecules onto negative ions,
J. Chem. Phys., 1980, 73, 2195. [all data]
Wlodek, Luczynski, et al., 1983
Wlodek, S.; Luczynski, Z.; Wincel, H.,
Gas phase complexes of NO2- and NO3- with SO2,
Int. J. Mass Spectrom. Ion Processes, 1983, 49, 301. [all data]
Fehsenfeld, Howard, et al., 1975
Fehsenfeld, F.C.; Howard, C.J.; Schmeltkopf, A.L.,
Gas Phase Ion Chemistry of HNO3,
J. Chem. Phys., 1975, 63, 7, 2835, https://doi.org/10.1063/1.431722
. [all data]
Mathur, Rothe, et al., 1976
Mathur, B.P.; Rothe, E.W.; Tang, S.Y.; Mahajan, K.; Reck, G.P.,
Negative gaseous ions from nitric acid,
J. Chem. Phys., 1976, 64, 1247. [all data]
Refaey and Franklin, 1976
Refaey, K.M.A.; Franklin, J.L.,
Endoergic ion-molecule-collision processes of negative ions. V. Collision of I- on HNO3. The electron affinity of NO3,
J. Chem. Phys., 1976, 64, 4810. [all data]
Ferguson, Dunkin, et al., 1972
Ferguson, E.E.; Dunkin, D.B.; Fehsenfeld, F.C.,
Reactions of NO2- and NO3- with HCl and HBr,
J. Chem. Phys., 1972, 57, 1459. [all data]
Berkowitz, Chupka, et al., 1971
Berkowitz, J.; Chupka, W.A.; Gutman, D.,
Electron Affinities of O2, O3, NO, NO2, and NO3 by Endothermic Charge Transfer,
J. Chem. Phys., 1971, 55, 6, 2733, https://doi.org/10.1063/1.1676488
. [all data]
Caldwell and Kebarle, 1985
Caldwell, G.; Kebarle, P.,
The hydrogen bond energies of the bihalide ions XHX- and YHX-,
Can. J. Chem., 1985, 63, 1399. [all data]
Wlodek, Luczynski, et al., 1983, 2
Wlodek, S.; Luczynski, Z.; Wincel, H.,
Gas - Phase Solvation of NO2- and NO3- by Ethyl Nitrate,
Int. J. Mass Spectrom. Ion Phys., 1983, 52, 2-3, 149, https://doi.org/10.1016/0020-7381(83)85036-0
. [all data]
Viidanoja, Reiner, et al., 2000
Viidanoja, J.; Reiner, T.; Kiendler, A.; Grimm, F.; Arnold, F.,
Laboratory investigations of negative ion molecule reactions of propionic, butyric, glyoxylic, pyruvic, and pinonic acids,
Int. J. Mass Spectrom., 2000, 194, 1, 53-68, https://doi.org/10.1016/S1387-3806(99)00172-4
. [all data]
Wincel, Mereand, et al., 1997
Wincel, H.; Mereand, E.; Castleman, A.W.,
Gas-phase reactions of ClONO2 with Cl-(D2O)(n=0-3) and NO2-,
J. Phys. Chem. A, 1997, 101, 44, 8248-8254, https://doi.org/10.1021/jp9701146
. [all data]
Viidanoja, Reiner, et al., 1998
Viidanoja, J.; Reiner, T.; Arnold, F.,
Laboratory Investigations of Negative Ion-Molecule Reactions of Formic and Acetic Acid.,
Int. J. Mass Spectrom., 1998, 181, 1-3, 31, https://doi.org/10.1016/S1387-3806(98)14151-9
. [all data]
Weaver, Arnold, et al., 1991
Weaver, A.; Arnold, D.W.; Bradforth, S.E.; Neumark, D.M.,
Estimation of the 2A'2 and 2E States of NO3 by Ultraviolet Photoelectron Spectroscopy of NO3-,
J. Chem. Phys., 1991, 94, 3, 1740, https://doi.org/10.1063/1.459947
. [all data]
Forney, Thompson, et al., 1993
Forney, D.; Thompson, W.E.; Jacox, M.E.,
The vibrational spectra of molecular ions isolated in solid neon. XI. NO+2, NO-2, and NO-3,
J. Chem. Phys., 1993, 99, 10, 7393, https://doi.org/10.1063/1.465720
. [all data]
Jacox, 1998
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules: supplement A,
J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017
. [all data]
Notes
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- Symbols used in this document:
T Temperature ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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