Fachbereich 12 - Chemie und Pharmazie
Organisch-Chemisches Institut
Professor Dr. Ernst-Ulrich Würthwein

Synthetic and physical organic chemistry

Synthetic and Physical organic chemistry: Synthesis, Conformational Analysis (D-NMR, ab initio Calculations), and Synthetic Applications of new Acyclic Heterosystems and Reactive Intermediates:

1. Cationic Species: 2-Aza-allenium Salts and Heteroanalogues, N-Acyliminium Salts, Azapentadienylium Salts, Azatropylium Salts.
2. Anionic Species: Aza-allyl- and Aza-pentadienyl metal compounds (Asymmetric Synthesis), Azapolyenyl metal compunds, Metallated Hydrazones.
3. Neutral Species: Heterosubstituted Alkynes, Heterobutadienes, Oligonitriles, Oligo- und Polyheteropolyenes and their Metal Complexes. Ring-Chain Tautomerism.

THEORETICAL CHEMISTRY (Computational Chemistry):
ab initio, DFT and semi-empirical calculations of heterocyclic and heteroacyclic compounds.

Drittmittelgeber:

Fonds der Chemischen Industrie; Deutsche Forschungsgemeinschaft; Sonderforschungsbereich 424 "Molekulare Orientierung als Funktionskriterium in chemischen Systemen"; International Graduate College "Template Directed Chemical Synthesis"; International NRW Graduate School of Chemistry - Münster; BASF AG; Degussa AG

Veröffentlichungen:

O. Maier, R. Fröhlich, E.-U. Würthwein, Eur. J. Org. Chem. 2001, 83-92: “Unsaturated Hetero Chains, X, Polydonor substituted 1-Oxa- and 1-Thia-3,5-diazahexatrienes: Synthesis, Structures, Ring-Chain Tautomerism and Theoretical Calculations“.

J. Grobe, A. Armbrecht, D. Le Van, B. Krebs, J. Kuchinke, M. Läge, E.-U. Würthwein, Z. Anorg. Allg. Chem. 2001, 627, 1241-1247: “Reactive E=C(p-p)p-Systems, 51. [3+2] Cycloaddition of Diazomethane Derivatives to Perfluoro-2-phosphapropene“.

D. Alickmann, R. Fröhlich, E.-U. Würthwein, Org. Letters, 2001, 3, 1527-1530: “Base Induced Heterochiral Dimerization of an Oxiranyl Carbaldimine: Stereoselective Synthesis of a Highly Functionalized Aziridine“.

P. Vossmann, K. Hornig, R. Fröhlich, E.-U. Würthwein, Synthesis, 2001, 1415-1426: “Asymmetric Addition of Aldehydes and Ketones to Chiral 2-Azapentadienyl Lithium Compounds: Diastereoselective Synthesis of 4-Vinyl-4,5-dihydro-oxazoles“.

T. Ernet, A. H. Maulitz, E.-U. Würthwein, G. Haufe, J. C. S. Perkin 1, 2001, 1929-1938: “Chemical Consequences of Fluorine Substitution. Part 1. Experimental and Theoretical Results on Diels-Alder Reactions of a- and b-Fluorostyrenes“.

F. E. Hahn, D. Le Van, M. C. Moyes, T. von Fehren, E.-U. Würthwein, Angew. Chem., 2001, 3241-3244; Angew. Chem. Int. Ed. 2001, 40, 3144-3148: “Ungewöhnliche Bildung eines Azaphospholens aus 1,3,4,5-Tetramethylimidazol-2-yliden und Diisopropylaminophosphaalkin“.

D. Alickmann, R. Fröhlich, A. H. Maulitz, E.-U. Würthwein, Eur. J. Org. Chem. 2002, 1523-1537: “Electrocyclization Reactions of 1-Aza-and 1-Oxa-pentadienyl- and heptatrienyl Cations: Synthesis of Pyrrole and Furan Derivatives“.

E.-U. Würthwein, G. Lang, L. H. Schappele, H. Mayr, J. Am. Chem. Soc. 2002, 124, 4084-4092: "Rate-Equilibrium-Relationships in Hydride Transfer Reactions: The Role of Intrinsic Barriers.“

E.-U. Würthwein, T. Hergenröther, H. Quast, Eur. J. Org. Chem. 2002, 1759-1755: Exo/endo Preferences of Double Bonds in Three-membered Ring Compounds.- The Bias Toward Endocyclic Unsaturation in 3-Alkyl- and 3-Amino-2H-azirines: A Theoretical and Experimental Study.“

F. E. Hahn, D. Le Van, L. Wittenbecher, M. C. Moyes, T. von Fehren, R. Fröhlich, E.-U. Würthwein, Phosphorus, Sulfur and Silicon, 2002, 177, 1863-1867: "Novel 1,2,4-Triphosphole, 1,2,3-Triphosphetene and Azaphospholene Derivatives from N-Heterocyclic Carbenes and Phosphaalkynes.“

DISSERTATIONS:

J. K. Eberhardt: "Metallkomplexe mit Oligonitrilen“. (2003)