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:
B - John E. Bartmess
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
7.28CTSKobayashi, Kobayashi, et al., 1973LLK
6.7 ± 0.1EIGilbert, Leach, et al., 1973LLK
7.0 ± 0.2EIGaivoronskii, Larin, et al., 1973LLK
7.3 ± 0.1EIMuller and Goser, 1969RDSH
7.41 ± 0.06CTSHuttner and Fischer, 1967RDSH
7.42 ± 0.03PEGuest, Hillier, et al., 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C5H5Cr+10.3 ± 0.13COEIGilbert, Leach, et al., 1973LLK
C5H5Cr+9.0 ± 0.23COEIGaivoronskii, Larin, et al., 1973LLK
C6H6+9.5 ± 0.1?EIGilbert, Leach, et al., 1973LLK
C6H6Cr+10.5 ± 0.23COEIMuller and Goser, 1969RDSH
C6H6Cr+10.8 ± 0.23COEIPignataro and Lossing, 1967RDSH
C7H6OCr+7.9 ± 0.22COEIGaivoronskii, Larin, et al., 1973LLK
C7H6OCr+8.5 ± 0.12COEIMuller and Goser, 1969RDSH
C8H6O2Cr+7.3 ± 0.1COEIGilbert, Leach, et al., 1973LLK
C8H6O2Cr+7.4 ± 0.2COEIGaivoronskii, Larin, et al., 1973LLK
Cr+13.5 ± 0.1C6H6+3COEIGilbert, Leach, et al., 1973LLK
Cr+12.2 ± 0.2C6H6+3COEIGaivoronskii, Larin, et al., 1973LLK
Cr+12.9 ± 0.2?EIMuller and Goser, 1969RDSH

De-protonation reactions

C9H5CrO3- + Hydrogen cation = Benzenechromiumtricarbonyl

By formula: C9H5CrO3- + H+ = C9H6CrO3

Quantity Value Units Method Reference Comment
Δr371.5 ± 5.0kcal/molIMRBLane and Squires, 1985gas phase; B


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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Kobayashi, Kobayashi, et al., 1973
Kobayashi, H.; Kobayashi, M.; Kaizu, Y., Molecular complexes of arenetricarbonylchromium, Bull. Chem. Soc. Jpn., 1973, 46, 3109. [all data]

Gilbert, Leach, et al., 1973
Gilbert, J.R.; Leach, W.P.; Miller, J.R., Ionisation appearance potential measurements in arene chromium tricarbonyls, J. Organomet. Chem., 1973, 49, 219. [all data]

Gaivoronskii, Larin, et al., 1973
Gaivoronskii, P.E.; Larin, N.V.; Artemov, A.N.; Shushunov, N.V., Study of arenechromium tricarbonyl complexes by mass spectrometry, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1973, 22, 2557, In original 2618. [all data]

Muller and Goser, 1969
Muller, J.; Goser, P., Massenspektroskopische Untersuchungen an substituierten Benzol-chromtricarbonyl- Komplexen, Chem. Ber., 1969, 102, 3314. [all data]

Huttner and Fischer, 1967
Huttner, G.; Fischer, E.O., Uber Aromatenkomplexe von Metallen. XCVIII. Spectroskopische Untersuchungen an Charge-Transfer-Komplexen von Aromaten-Chrom Tricarbonylen mit 1,3,5-Trinitrobenzol, J. Organometal. Chem., 1967, 8, 299. [all data]

Guest, Hillier, et al., 1975
Guest, M.F.; Hillier, I.H.; Higginson, B.R.; Lloyd, D.R., The electronic structure of transition metal complexes containing organic ligands II. Low energy photoelectron spectra and ab initio SCF MO calculations of dibenzene chromium and benzene chromium tricarbonyl, Mol. Phys., 1975, 29, 113. [all data]

Pignataro and Lossing, 1967
Pignataro, S.; Lossing, F.P., Mass spectra and ionization potentials of C6H6CrC6H6 and C6H6Cr(CO)3, J. Organometal. Chem., 1967, 10, 531. [all data]

Lane and Squires, 1985
Lane, K.R.; Squires, R.R., Formation of HCr(CO)3- from the remarkable reaction of hydride ion with benzenechromium tricarbonyl, J. Am. Chem. Soc., 1985, 107, 6403. [all data]


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