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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
Deltafgas95.000kcal/molReviewChase, 1998Data last reviewed in June, 1973
Quantity Value Units Method Reference Comment
gas,1 bar41.661cal/mol*KReviewChase, 1998Data last reviewed in June, 1973

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) 2952.078 - 6000.
A 2.759661
B 3.276181
C -0.817024
D 0.094066
E -3.994931
F 91.47531
G 43.71171
H 95.00010
ReferenceChase, 1998
Comment Data last reviewed in June, 1973

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, 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.

Quantity Value Units Method Reference Comment
Deltafliquid6.231kcal/molReviewChase, 1998Data last reviewed in June, 1973
Quantity Value Units Method Reference Comment
liquid,1 bar8.652cal/mol*KReviewChase, 1998Data last reviewed in June, 1973
Quantity Value Units Method Reference Comment
solid5.645cal/mol*KReviewChase, 1998Data last reviewed in June, 1973

Liquid 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) 2130. - 2952.078
A 9.400110
B 0.000000
C 0.000000
D 0.000000
E 0.000000
F 1.143631
G 16.18330
H 6.230412
ReferenceChase, 1998
Comment Data last reviewed in June, 1973

Solid 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. - 600.600. - 2130.
A 1.7900914.413261
B 17.090101.309271
C -21.911001.889180
D 11.00490-0.274342
E 0.0330200.302531
F -1.010670-0.639804
G 3.77847111.49460
H 0.0000000.000000
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in June, 1973 Data last reviewed in June, 1973

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed 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 as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
MS - José A. Martinho Simões

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

Chromium ion (1+) + chromium = (Chromium ion (1+) bullet chromium)

By formula: Cr+ + Cr = (Cr+ bullet Cr)

Quantity Value Units Method Reference Comment
Deltar37. ± 5.kcal/molICRCDHouriet and Vulpius, 1989gas phase; M
Deltar42.kcal/molEIHilpert and Ruthardt, 1987gas phase; from IP(Cr2) by EI and D(Cr2) by Knudsen cell, and IP(Cr); M
Deltar43. ± 5.kcal/molKC-MSHilpert and Ruthardt, 1987gas phase; data as evaluated by Houriet and Vulpius, 1989; M

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
29.9 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(CAS Reg. No. 136056-49-0 bullet 4294967295chromium) + chromium = CAS Reg. No. 136056-49-0

By formula: (CAS Reg. No. 136056-49-0 bullet 4294967295Cr) + Cr = CAS Reg. No. 136056-49-0

Quantity Value Units Method Reference Comment
Deltar88.4 ± 9.1kcal/molTDEqBoltalina, Borshchevskii, et al., 1991gas phase; Data at 0 K. See also Pramann and Rademann, 1999; value altered from reference due to conversion from electron convention to ion convention; B

Chromium hexacarbonyl (cr) = 6Carbon monoxide (g) + chromium (cr)

By formula: C6CrO6 (cr) = 6CO (g) + Cr (cr)

Quantity Value Units Method Reference Comment
Deltar63.6 ± 1.kcal/molTD-HFCAl-Takhin, Connor, et al., 1984MS
Deltar75.3 ± 0.2kcal/molTD-HZCPittam, Pilcher, et al., 1975Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS
Deltar64.4 ± 1.1kcal/molTD-HFCConnor, Skinner, et al., 1972MS

(CAS Reg. No. 135774-12-8 bullet 4294967295chromium) + chromium = CAS Reg. No. 135774-12-8

By formula: (CAS Reg. No. 135774-12-8 bullet 4294967295Cr) + Cr = CAS Reg. No. 135774-12-8

Quantity Value Units Method Reference Comment
Deltar29.3 ± 1.6kcal/molN/ACasey, Villata, et al., 1991gas phase; See also Casey and Leopold, 1993 for more analysis.; B

C14H10CrN2O4 (cr) = 21,3-Diazine (g) + 4Carbon monoxide (g) + chromium (cr)

By formula: C14H10CrN2O4 (cr) = 2C4H4N2 (g) + 4CO (g) + Cr (cr)

Quantity Value Units Method Reference Comment
Deltar>47.6kcal/molTD-HFCAdedeji, Connor, et al., 1978The reaction enthalpy is a low limit Adedeji, Connor, et al., 1978.; MS

(Chromium ion (1+) bullet 10chromium) + chromium = (Chromium ion (1+) bullet 11chromium)

By formula: (Cr+ bullet 10Cr) + Cr = (Cr+ bullet 11Cr)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
61.7 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) bullet 11chromium) + chromium = (Chromium ion (1+) bullet 12chromium)

By formula: (Cr+ bullet 11Cr) + Cr = (Cr+ bullet 12Cr)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
69.1 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) bullet 12chromium) + chromium = (Chromium ion (1+) bullet 13chromium)

By formula: (Cr+ bullet 12Cr) + Cr = (Cr+ bullet 13Cr)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
70.3 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) bullet 13chromium) + chromium = (Chromium ion (1+) bullet 14chromium)

By formula: (Cr+ bullet 13Cr) + Cr = (Cr+ bullet 14Cr)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
63.8 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) bullet 14chromium) + chromium = (Chromium ion (1+) bullet 15chromium)

By formula: (Cr+ bullet 14Cr) + Cr = (Cr+ bullet 15Cr)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
67.4 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) bullet 15chromium) + chromium = (Chromium ion (1+) bullet 16chromium)

By formula: (Cr+ bullet 15Cr) + Cr = (Cr+ bullet 16Cr)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
65.3 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) bullet 16chromium) + chromium = (Chromium ion (1+) bullet 17chromium)

By formula: (Cr+ bullet 16Cr) + Cr = (Cr+ bullet 17Cr)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
49.7 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) bullet 17chromium) + chromium = (Chromium ion (1+) bullet 18chromium)

By formula: (Cr+ bullet 17Cr) + Cr = (Cr+ bullet 18Cr)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
55.7 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) bullet 18chromium) + chromium = (Chromium ion (1+) bullet 19chromium)

By formula: (Cr+ bullet 18Cr) + Cr = (Cr+ bullet 19Cr)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
69.1 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) bullet 19chromium) + chromium = (Chromium ion (1+) bullet 20chromium)

By formula: (Cr+ bullet 19Cr) + Cr = (Cr+ bullet 20Cr)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
60.5 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) bullet 9chromium) + chromium = (Chromium ion (1+) bullet 10chromium)

By formula: (Cr+ bullet 9Cr) + Cr = (Cr+ bullet 10Cr)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
59.3 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) bullet 2chromium) + chromium = (Chromium ion (1+) bullet 3chromium)

By formula: (Cr+ bullet 2Cr) + Cr = (Cr+ bullet 3Cr)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
23.9 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) bullet 3chromium) + chromium = (Chromium ion (1+) bullet 4chromium)

By formula: (Cr+ bullet 3Cr) + Cr = (Cr+ bullet 4Cr)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
51.4 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) bullet 4chromium) + chromium = (Chromium ion (1+) bullet 5chromium)

By formula: (Cr+ bullet 4Cr) + Cr = (Cr+ bullet 5Cr)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
40.9 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) bullet 5chromium) + chromium = (Chromium ion (1+) bullet 6chromium)

By formula: (Cr+ bullet 5Cr) + Cr = (Cr+ bullet 6Cr)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
58.8 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) bullet 6chromium) + chromium = (Chromium ion (1+) bullet 7chromium)

By formula: (Cr+ bullet 6Cr) + Cr = (Cr+ bullet 7Cr)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
51.9 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) bullet 7chromium) + chromium = (Chromium ion (1+) bullet 8chromium)

By formula: (Cr+ bullet 7Cr) + Cr = (Cr+ bullet 8Cr)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
59.5 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) bullet 8chromium) + chromium = (Chromium ion (1+) bullet 9chromium)

By formula: (Cr+ bullet 8Cr) + Cr = (Cr+ bullet 9Cr)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
55.4 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(Chromium ion (1+) bullet chromium) + chromium = (Chromium ion (1+) bullet 2chromium)

By formula: (Cr+ bullet Cr) + Cr = (Cr+ bullet 2Cr)

Enthalpy of reaction

DeltarH° (kcal/mol) T (K) Method Reference Comment
46.4 CIDArmentrout and Kickel, 1994gas phase; guided ion beam CID; M

(CAS Reg. No. 64911-49-5 bullet 4294967295chromium) + chromium = CAS Reg. No. 64911-49-5

By formula: (CAS Reg. No. 64911-49-5 bullet 4294967295Cr) + Cr = CAS Reg. No. 64911-49-5

Quantity Value Units Method Reference Comment
Deltar96.8 ± 7.0kcal/molN/AWenthold, Gunion, et al., 1996gas phase; B

CrF18P6 (cr) = chromium (cr) + 6Phosphorus trifluoride (g)

By formula: CrF18P6 (cr) = Cr (cr) + 6F3P (g)

Quantity Value Units Method Reference Comment
Deltar73.0 ± 3.0kcal/molHAL-HFCBrown and Connor, 1974MS

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, 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]

Houriet and Vulpius, 1989
Houriet, R.; Vulpius, T., Formation of Metal Cluster Ions by Gas - Phase Ion - Molecule Reactions: the Bond Energies of Cr2+ and Mn2+, Chem. Phys. Lett., 1989, 154, 5, 454, https://doi.org/10.1016/0009-2614(89)87130-1 . [all data]

Hilpert and Ruthardt, 1987
Hilpert, K.; Ruthardt, K., Determination of the dissociation energy of the Cr2 molecule, Ber. Bunsen-Ges. Phys. Chem., 1987, 91, 724. [all data]

Armentrout and Kickel, 1994
Armentrout, P.B.; Kickel, B.L., Gas Phase Thermochemistry of Transition Metal Ligand Systems: Reassessment of Values and Periodic Trends, in Organometallic Ion Chemistry, B. S. Freiser, ed, 1994. [all data]

Boltalina, Borshchevskii, et al., 1991
Boltalina, O.V.; Borshchevskii, A.Y.; Sidorov, L.N., Thermochemistry of Chromium Gaseous Fluorides and Their Negative Ions, Zh. Fiz. Khim. SSSR, 1991, 65, 884. [all data]

Pramann and Rademann, 1999
Pramann, A.; Rademann, K., Mass-spectrometric study of formation and stability of manganese and manganese oxide cluster anions, Int. J. Mass Spectrom., 1999, 187, 673-683, https://doi.org/10.1016/S1387-3806(98)14197-0 . [all data]

Al-Takhin, Connor, et al., 1984
Al-Takhin, G.; Connor, J.A.; Skinner, H.A.; Zaharani-Moettar, M.T., J. Organomet. Chem., 1984, 260, 189. [all data]

Pittam, Pilcher, et al., 1975
Pittam, D.A.; Pilcher, G.; Barnes, D.S.; Skinner, H.A.; Todd, D., J. Less-Common Met., 1975, 42, 217. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brigton, 1977. [all data]

Tel'noi and Rabinovich, 1977
Tel'noi, V.I.; Rabinovich, I.B., Russ. Chem. Rev., 1977, 46, 689. [all data]

Connor, Skinner, et al., 1972
Connor, J.A.; Skinner, H.A.; Virmani, Y., Microcalorimetric studies. Thermal decomposition and iodination of metal carbonyls, J. Chem. Soc., Faraday Trans. 1, 1972, 68, 0, 1754, https://doi.org/10.1039/f19726801754 . [all data]

Casey, Villata, et al., 1991
Casey, S.M.; Villata, P.W.; Bengali, A.A.; Cheng, C.-L.; Dick, J.P.; Fenn, P.T.; Leopold, D.G., A Study of Cr2 by Negative ion Photoelectron Spectroscopy, J. Am. Chem. Soc., 1991, 113, 17, 6688, https://doi.org/10.1021/ja00017a058 . [all data]

Casey and Leopold, 1993
Casey, S.M.; Leopold, D.G., Negative Ion Photoelectron Spectroscopy of Cr2, J. Phys. Chem., 1993, 97, 4, 816, https://doi.org/10.1021/j100106a005 . [all data]

Adedeji, Connor, et al., 1978
Adedeji, F.A.; Connor, J.A.; Demain, C.P.; Martinho Simões, J.A.; Skinner, H.A.; Zafarani- Moattar, M.T., J. Organometal. Chem., 1978, 149, 333. [all data]

Wenthold, Gunion, et al., 1996
Wenthold, P.G.; Gunion, R.F.; Lineberger, W.C., Ultraviolet Negative-ion Photoelectron Spectroscopy of the Chromium Oxide Negative Ion, Chem. Phys. Lett., 1996, 258, 1-2, 101, https://doi.org/10.1016/0009-2614(96)00611-2 . [all data]

Brown and Connor, 1974
Brown, D.L.S.; Connor, J.A., Skinner, H. A. J. Chem. Soc., Faraday Trans. I, 1974, 70, 1649. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References