Skip to main content
SpringerLink
Log in

Kraftfeldrechnungen an linearen Oligopyrrolen: 2,2′-Bipyrrol, 2,2′-Furylpyrrol und Prodigiosen

Force field calculations on linear oligopyrroles: 2,2′-bipyrrole, 2,2′-furylpyrrole and prodigiosene (short communication)

Kurze Mitteilung

  • Organische Chemie Und Biochemie
  • Published:
Monatshefte für Chemie / Chemical Monthly Aims and scope Submit manuscript

Abstract

Using a specific force field model, relative stabilities of 2,2′-bipyrrole and 2,2′-furylpyrrole conformers as well as of prodigiosene tautomers, configurations, and conformations, are studied. 2,2′-Bipyrrole adopts anantiperiplanar conformation in accord with other theoretical calculations and experimental findings. Its rotational barrier calculated by this method compares favourably to the one derived by other means. For the parent prodigiosene the (Z)sp,sp arrangement is found to be the most stable one. The two possible tautomers within its dipyrrin fragment do not show a significant energy difference.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Literatur

  1. Andre JM, Vercauteren DP, Street GB, Bredas JL (1984) J Chem Phys 80: 5643

    Google Scholar 

  2. Nazzal AI, Street GB, Wynne KJ (1985) Mol Cryst Liqu Cryst 125: 303

    Google Scholar 

  3. Ford WK, Duke CB, Salaneck WR (1982) J Chem Phys 77: 5030

    Google Scholar 

  4. Orti E, Sanchez-Marin J, Tomas F (1986) Theor Chim A 69: 41

    Google Scholar 

  5. Orti E, Sanchez-Marin J, Merchan M, Tomas F (1987) J Phys Chem 91: 545

    Google Scholar 

  6. Orti E, Sanchez-Marin J, Tomas F (1985) J Mol Struct 124: 307

    Google Scholar 

  7. Street GB, Lindsey SE, Nazzal AI, Wynne KJ (1985) Mol Cryst Liqu Cryst 118: 137

    Google Scholar 

  8. Williams RP, Hearn WR (1967) Antibiotics II: 410

    Google Scholar 

  9. Gerber N (1975) Critical Rev Microbiol 1975: 469

    Google Scholar 

  10. Eichinger D, Falk H (1987) Monatsh Chem 118: 255

    Google Scholar 

  11. Falk H, Flödl H, Wagner UG (1988) Monatsh Chem, im Druck

  12. Falk H, Höllbacher G, Hofer O, Müller N (1981) Monatsh Chem 112: 291

    Google Scholar 

  13. Falk H, Höllbacher G, Hofer O (1979) Monatsh Chem 110: 1025

    Google Scholar 

  14. Falk H, Müller N (1981) Monatsh Chem 112: 791, 1325

    Google Scholar 

  15. Falk H, Müller N (1983) Tetrahedron 39: 1875

    Google Scholar 

  16. Galasso V, Klasinc L, Sabljic A, Trinajstic N, Pappalardo GC, Steglich W (1981) J Chem Soc Perkin Trans 2 1981: 127

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Institut für Chemie, Johannes-Kepler-Universität Linz, A-4040, Linz, Austria

    Heinz Falk, Gabriele Streßler & Norbert Müller

Authors
  1. Heinz Falk
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Gabriele Streßler
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Norbert Müller
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Falk, H., Streßler, G. & Müller, N. Kraftfeldrechnungen an linearen Oligopyrrolen: 2,2′-Bipyrrol, 2,2′-Furylpyrrol und Prodigiosen. Monatsh Chem 119, 505–508 (1988). https://doi.org/10.1007/BF00810431

Download citation

  • Received:

  • Accepted:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00810431

Keywords

Search

Navigation