chlorine trifluoride

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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
Δfgas-37.971kcal/molReviewChase, 1998Data last reviewed in September, 1965
Quantity Value Units Method Reference Comment
gas,1 bar67.302cal/mol*KReviewChase, 1998Data last reviewed in September, 1965

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 1100.1100. to 6000.
A 14.4368019.84130
B 13.701200.017257
C -13.00740-0.003503
D 4.3487700.000243
E -0.197875-0.566967
F -43.44111-45.62020
G 80.1150188.56171
H -37.96991-37.96991
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1965 Data last reviewed in September, 1965

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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to ClF3+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
>2.40 ± 0.10EIAEBaluev, Nikitin, et al., 1980From ClF5; G3MP2B3 calculations indicate an EA of ca. 3.3 eV; B

Ionization energy determinations

IE (eV) Method Reference Comment
12.65 ± 0.05PEDeKock, Higginson, et al., 1972LLK
13.0 ± 0.2EIIrsa and Friedman, 1958RDSH
13.05 ± 0.05EIDudin, Gorokhov, et al., 1979Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
F2<35>Cl+13.78 ± 0.07FEIDudin, Gorokhov, et al., 1979LLK
ClF2+12.8 ± 0.3FEIIrsa and Friedman, 1958RDSH

References

Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics 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]

Baluev, Nikitin, et al., 1980
Baluev, A.V.; Nikitin, I.M.; Fedorova, L.I.; Rossolovskii, V.Ya., Mass Spectrometric Study of Chlorine Pentafluoride Ionization by Electron Impact, Izv. Akad. Nauk SSR Ser. Khim. 487, 1980. [all data]

DeKock, Higginson, et al., 1972
DeKock, R.L.; Higginson, B.R.; Lloyd, D.R.; Breeze, A.; Cruickshank, D.W.J.; Armstrong, D.R., Photoelectron spectra of halides. V. Experimental theoretical study of the electronic structures of ClF, ClF3, BrF and BrF3, Mol. Phys., 1972, 24, 1059. [all data]

Irsa and Friedman, 1958
Irsa, A.P.; Friedman, L., Mass spectra of halogen fluorides, J. Inorg. Nucl. Chem., 1958, 6, 77. [all data]

Dudin, Gorokhov, et al., 1979
Dudin, A.V.; Gorokhov, L.N.; Baluev, A.V., A study of the electron-impact ionization of chlorine trifluoride and its decomposition products by mass spectrometry, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1979, 11, 2408. [all data]


Notes

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