Tetrathiafulvalene

• Formula: C₆H₄S₄
• Molecular weight: 204.356
• IUPAC Standard InChI: InChI=1S/C6H4S4/c1-2-8-5(7-1)6-9-3-4-10-6/h1-4H Copy

  
• IUPAC Standard InChIKey: FHCPAXDKURNIOZ-UHFFFAOYSA-N Copy
• CAS Registry Number: 31366-25-3
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: 1,3-Dithiole, 2-(1,3-dithiol-2-ylidene)-; Δ2,2'-Bi-1,3-dithiole; 1,4,5,8-Tetrathiafulvalene; δ-2:2'-bis(1,3-dithiazole)
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• Information on this page:
  • Gas phase ion energetics data
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Mass spectrum (electron ionization)
• Data at other public NIST sites:
  • X-ray Photoelectron Spectroscopy Database, version 5.0
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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

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.

Kobayashi, Yoshida, et al., 1984
Kobayashi, T.; Yoshida, Z.; Awaji, H.; Kawase, T.; Ioneda, S., Intramolecular orbital interaction in 6,6'-bi(1,4-dithiafulvenyl) studied by photoelectron spectroscopy, Bull. Chem. Soc. Jpn., 1984, 57, 2591. [all data]

Engler, Kaufman, et al., 1975
Engler, E.M.; Kaufman, F.B.; Green, D.C.; Klots, C.E.; Compton, R.N., Ionization potentials and donor properties of selenium analogs of tetrathiafulvalene, J. Am. Chem. Soc., 1975, 97, 2921. [all data]

Gleiter, Kobayashi, et al., 1975
Gleiter, R.; Kobayashi, M.; Spanget-Larsen, J.; Ferraris, J.P.; Bloch, A.N.; Bechgaard, K.; Cowan, D.O., Photoelectron and electronic absorption spectra of tetrathiafulvalene and related compounds, Ber. Bunsen-Ges. Phys. Chem., 1975, 79, 1218. [all data]

Berlinsky, Carolan, et al., 1974
Berlinsky, A.J.; Carolan, J.F.; Weiler, L., Photoelectron spectrum and electronic structure of tetrathiofulvalene (TTF), Can. J. Chem., 1974, 52, 3373. [all data]

Gleiter, Schmidt, et al., 1973
Gleiter, R.; Schmidt, E.; Cowan, D.O.; Ferraris, J.P., The electronic structure of tetrathiofulvalene, J. Electron Spectrosc. Relat. Phenom., 1973, 2, 207. [all data]

Notes

Go To: Top, Gas phase ion energetics data, References

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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