Bis(π-cyclopentadienyl)vanadium
- Formula: C10H10V
- Molecular weight: 181.1279
- IUPAC Standard InChIKey: GLOUOHCQKJMDFZ-UHFFFAOYSA-N
- CAS Registry Number: 1277-47-0
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Vanadium, bis(η5-Cyclopentadienyl); Vanadocene
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Condensed phase thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), 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:
MS - José A. Martinho Simões
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°solid | 34.6 ± 2.1 | kcal/mol | Review | Martinho Simões | MS |
ΔfH°solid | 29.4 ± 1. | kcal/mol | CC-SB | Chipperfield, Sneyd, et al., 1979 | Value corrected based on a set of ancillary data by J.A. Martinho Simões; The enthalpy of combustion is not reported in Chipperfield, Sneyd, et al., 1979; MS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1502.0 ± 2.0 | kcal/mol | CC-SB | Tel' noi, Rabinovich, et al., 1971 | Please also see Pedley and Rylance, 1977 and Tel'noi and Rabinovich, 1977.; MS |
Quantity | Value | Units | Method | Reference | Comment |
S°solid,1 bar | 57.41 | cal/mol*K | N/A | Rabinovich, Nistratov, et al., 1978 | DH |
S°solid,1 bar | 57.41 | cal/mol*K | N/A | Rabinovich, Nistratov, et al., 1975 | DH |
Constant pressure heat capacity of solid
Cp,solid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
48.59 | 298. | Calvarin, Berar, et al., 1980 | T = 100 to 300 K. Cp between 235 to 300 K given by equation.; DH |
48.90 | 298.15 | Rabinovich, Nistratov, et al., 1978 | T = 5 to 300 K.; DH |
48.83 | 298.15 | Rabinovich, Nistratov, et al., 1975 | T = 5 to 298.15 K.; DH |
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:
AC - William E. Acree, Jr., James S. Chickos
MS - José A. Martinho Simões
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 14.0 ± 1.0 | kcal/mol | N/A | Pilcher and Skinner, 1983 | See also Tel'noi, Rabinovich, et al., 1971.; AC |
ΔsubH° | 14.0 ± 1.0 | kcal/mol | CC-SB | Tel' noi, Rabinovich, et al., 1971 | MS |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
13.7 | 330.5 | A | Stephenson and Malanowski, 1987 | Based on data from 323. to 338. K.; AC |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.0468 | 150. to 200. | crystaline, II | crystaline, I | Rabinovich, Nistratov, et al., 1978 | Lambda transition between 120 to 200 K.; DH |
0.0468 | 130. to 200. | crystaline, II | crystaline, I | Rabinovich, Nistratov, et al., 1975 | Lambda transition.; DH |
0.196 | 120. to 235. | crystaline, II | crystaline, I | Calvarin, Berar, et al., 1980 | Lambda transition between 120 to 235 K.; DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.289 | 150. to 200. | crystaline, II | crystaline, I | Rabinovich, Nistratov, et al., 1978 | Lambda; DH |
0.289 | 130. to 200. | crystaline, II | crystaline, I | Rabinovich, Nistratov, et al., 1975 | Lambda; DH |
1.11 | 120. to 235. | crystaline, II | crystaline, I | Calvarin, Berar, et al., 1980 | Lambda; DH |
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:
LL - Sharon G. Lias and Joel F. Liebman
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 |
---|---|---|---|
6.75 | PE | Ryan, Eyler, et al., 1992 | Unpublished results of D.L. Lichtenberger and M.E.Rempe; LL |
~6.7 | EQ | Ryan, Eyler, et al., 1992 | T = 350K; LL |
7.3 ± 0.1 | EI | Muller and D'Or, 1967 | RDSH |
6.81 | PE | Cauletti, Green, et al., 1980 | Vertical value; LLK |
6.78 | PE | Evans, Green, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C5H5V+ | 12.7 ± 0.1 | ? | EI | Muller and D'Or, 1967 | RDSH |
V+ | 14.5 ± 0.5 | ? | EI | Muller and D'Or, 1967 | RDSH |
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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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 | Chemical Concepts |
NIST MS number | 163327 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Martinho Simões
Martinho Simões, J.A.,
Private communication (see http://webbook.nist.gov/chemistry/om/). [all data]
Chipperfield, Sneyd, et al., 1979
Chipperfield, J.R.; Sneyd, J.C.R.; Webster, D.E.,
J. Organometal. Chem., 1979, 178, 177. [all data]
Tel' noi, Rabinovich, et al., 1971
Tel' noi, V.I.; Rabinovich, I.B.; Latyaeva, V.N.; Lineva, A.N.,
Dokl. Akad. Nauk SSSR, 1971, 197, 353. [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]
Rabinovich, Nistratov, et al., 1978
Rabinovich, I.B.; Nistratov, V.P.; Sheiman, M.S.; Burchalova, G.V.,
Heat capacities of dicyclopentadienyl compounds of vanadium, chromium, manganese, cobalt, and nickel,
J. Chem. Thermodynam., 1978, 10, 523-536. [all data]
Rabinovich, Nistratov, et al., 1975
Rabinovich, I.B.; Nistratov, V.P.; Sheiman, M.S.; Burchalova, G.V.,
Heat capacity and transitions in solid state. Dicyclopentadienyl compounds of transition elements,Quatrieme Conference International de Thermodynamique Chimique II,
Thermophysiques (capacites thermiques) pp., 1975, 69-76, 136. [all data]
Calvarin, Berar, et al., 1980
Calvarin, G.; Berar, J.F.; Chhor, K.; Pommier, C.,
Etude de la transition de phase ordre-desordre du vanadocene V(C5H5)2,
Mol. Cryst. Liq. Cryst., 1980, 59, 149-158. [all data]
Pilcher and Skinner, 1983
Pilcher, G.; Skinner, H.A.,
Thermochemistry of organometallic compounds, 1983, 43-90, https://doi.org/10.1002/9780470771686.ch2
. [all data]
Tel'noi, Rabinovich, et al., 1971
Tel'noi, V.I.; Rabinovich, I.B.; Latyaeva, V.N.; Lineva, A.N.,
Dokl. Akad. Nauk SSSR, 1971, 197, 6, 1348. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Ryan, Eyler, et al., 1992
Ryan, M.F.; Eyler, J.R.; Richardson, D.E.,
Adiabatic ionization energies, bond disruption enthalpies, and solvation free energies for gas-phase metallocenes and metallocenium ions,
J. Am. Chem. Soc., 1992, 114, 8611. [all data]
Muller and D'Or, 1967
Muller, J.; D'Or, L.,
Massenspektrometrische Untersuchungen an Dicyclopentadienylkomplexen von Ubergangsmetallen,
J.Organometal. Chem., 1967, 10, 313. [all data]
Cauletti, Green, et al., 1980
Cauletti, C.; Green, J.C.; Kelly, M.R.; Powell, P.; Van Tilborg, J.,
Photoelectron spectra of metallocenes,
J. Electron Spectrosc. Relat. Phenom., 1980, 19, 327. [all data]
Evans, Green, et al., 1974
Evans, S.; Green, M.L.H.; Jewitt, B.; King, G.H.; Orchard, A.F.,
Electronic structures of metal complexes containing the π-cyclopentadienyl and related ligands Part 2. He I photoelectron spectra of the open-shell metallocenes,
J. Chem. Soc. Faraday Trans. 2, 1974, 70, 356. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Cp,solid Constant pressure heat capacity of solid S°solid,1 bar Entropy of solid at standard conditions (1 bar) ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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