Titanium, dicarbonylbis(η5-2,4-cyclopentadien-1-yl)-


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:
MS - José A. Martinho Simões
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Δsub84.2 ± 3.5kJ/molRSCDias, Dias, et al., 1987MS
Δsub84.2 ± 3.5kJ/molMEDias, Dias, et al., 1987, 2AC

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 by: José A. Martinho Simões

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Individual Reactions

Titanium, dicarbonylbis(η5-2,4-cyclopentadien-1-yl)- (cr) + Iodine (cr) = C10H10I2Ti (cr) + 2Carbon monoxide (g)

By formula: C12H10O2Ti (cr) + I2 (cr) = C10H10I2Ti (cr) + 2CO (g)

Quantity Value Units Method Reference Comment
Δr-74.1 ± 2.1kJ/molRSCDias, Dias, et al., 1987 

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

Ionization energy determinations

IE (eV) Method Reference Comment
6.62PEBohm, 1982Vertical value; LBLHLM
6.35PEFragala, Ciliberto, et al., 1979Vertical value; LLK

Mass spectrum (electron ionization)

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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

Spectrum

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Mass spectrum
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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY
NIST MS number 63801

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References

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

Dias, Dias, et al., 1987
Dias, A.R.; Dias, P.B.; Diogo, H.P.; Galvão, A.M.; Minas da Piedade, M.E.; Martinho Simões, J.A., Organometallics, 1987, 6, 1427. [all data]

Dias, Dias, et al., 1987, 2
Dias, Alberto R.; Dias, Palmira B.; Diogo, Herminio P.; Galvao, Adelino M.; Minas da Piedade, Manuel E.; Simoes, Jose A. Martinho., Energetics of molybdenum-azobenzene, titanium-azobenzene, titanium-iodide, and titanium-carbonyl bonds in bis(cyclopentadienyl) complexes, Organometallics, 1987, 6, 7, 1427-1432, https://doi.org/10.1021/om00150a011 . [all data]

Bohm, 1982
Bohm, M.C., The photoelectron spectra of bis(cyclopentadienyl)titanium derivatives - a green's function approach, Inorg. Chim. Acta, 1982, 62, 171. [all data]

Fragala, Ciliberto, et al., 1979
Fragala, I.; Ciliberto, E.; Thomas, J.L., He(I) and He(II) excited photoelectron spectra of cyclopentadienyldicarbonyltitanium(II), J. Organomet. Chem., 1979, 175, 25. [all data]


Notes

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