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1

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7-(Trifluormethyl)-1λ4,3λ4,5λ4,-trithia-2,4,6,8,9-pentaazabicyclo[3.3.1]nona-1(9),2,3,5,7-pentaen als Komplexligand (1990)

Maggiulli, Roberto ; Mews, Rüdiger ; Stohrer, Wolf-Dieter ; [et al.]

Weinheim : Wiley-Blackwell

Berichte der deutschen chemischen Gesellschaft 123 (1990), S. 29-34

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ISSN: 0009-2940

Keywords: 1λ4,3λ4,5λ4,-Trithia-2,4,6,8,9-pentaazabicyclo [3.3.1]nona-1(9),2,3,5,7-pentaene, 7-trifluormethyl derivative, reactivity of / Coordination chemistry in liquid SO2 / Nickel(II) complexes with CF3CN5S3 / Sulfur dioxide, O-coordination to Ni(II) / Silver complexes with CF3 CN5S3 ; Chemistry ; Inorganic Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: 7-(Trifluormethyl)-1λ4,3λ4,5λ4,-trithia-2,4,6,8,9-pentaazabicyclo[3.3.1]nona-1(9),2,3,5,7-pentaene as Ligand in Coordination ChemistryMany possibilities exist for the title compound CF3CN5S3 (3) (L) to coordinate to transition metal centers. From the reaction of 3 with [Ni(SO2)2](AsF6)2 and AgAsF6 in liquid SO2 [Ni-(SO2)2L2(FAsF5)2) (11) and [AgL]AsF6 (13) or [AgL2]AsF6 (14), respectively, were isolated. As shown by X-ray structure determination of 11 and 14, L coordinates as expected from MNDO calculations.

Additional Material: 5 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/cber.19901230107

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2

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1,2-Bis[trifluorosulfur(IV)]tetrafluoroethane F3S-CF2-CF2-SF3: A Bifunctional Molecule with Two Fluoroamphoteric Sulfur Centers⋆ (1998)

Viets, Detlef ; Heilemann, Werner ; Lork, Enno ; [et al.]

Weinheim : Wiley-Blackwell

Berichte der deutschen chemischen Gesellschaft 1998 (1998), S. 1035-1039

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ISSN: 1434-1948

Keywords: α,ω-Bis(trifluorosulfur)perfluoroalkanes ; α,ω-Bis(fluorosulfinyl)alkanes ; Fluorosulfur anions ; Fluorosulfur cations ; Ab initio calculations ; Chemistry ; General Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: The title compound (-CF2-SF3)2 (2) is prepared from (-CF2-SCl)2 (1) and F2 at -90 °C in 83 % yield. Reaction of 2 with CsF and TASF yields Cs[(-CF2-SF3)2F] (8), TAS [(-CF2SF3)2F] (9) and (TAS)2[(-CF2-SF4)2] (10). Fluoride-ion abstraction yields [(-CF2SF2)2F] [AsF6] (6), BF3-catalysed solvolysis in SO2 gives [-CF2-S(O)F]2 (4), and CsF-catalysed oxidation with F2 leads to the previously reported (-CF2-SF5)2 (11). Ab initio calculations of the molecular structures of 2 and the related methane derivative F2C(SF3)2 are reported.

Type of Medium: Electronic Resource

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3

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Das sonderbare Verhalten elektronen-angeregter Cyclobutanone: Ein photochemisches Beispiel für die Konsequenz der “through bond”-Wechselwirkung (1974)

Stohrer, Wolf-Dieter ; Wiech, Gerhard ; Quinkert, Gerhard

Weinheim : Wiley-Blackwell

Zeitschrift für die chemische Industrie 86 (1974), S. 199-200

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ISSN: 0044-8249

Keywords: Chemistry ; General Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Additional Material: 2 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/ange.19740860507

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4

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Stereochemiekontrolle durch sekundäre “through space”-Wechselwirkung: exo/endo-Stabilität 7-acceptorsubstituierter 2,4-Norcaradiene (1974)

Stohrer, Wolf-Dieter ; Daub, Jörg

Weinheim : Wiley-Blackwell

Zeitschrift für die chemische Industrie 86 (1974), S. 54-54

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ISSN: 0044-8249

Keywords: Chemistry ; General Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Additional Material: 1 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/ange.19740860116

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5

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Orbital Theory of Heterolytic Fragmentation and Remote Effects on Nitrogen Inversion Equilibria (1972)

Gleiter, Rolf ; Stohrer, Wolf-Dieter ; Hoffmann, Roald

New York, NY : Wiley-Blackwell

Helvetica Chimica Acta 55 (1972), S. 893-906

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ISSN: 0018-019X

Keywords: Chemistry ; Organic Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: From a molecular orbital study of model systems we derive the electronic requirements for the Grob fragmentation. The necessary condition for an allowed fragmentation in an X-C1-C2-C3-N system, or the amino cation +C1-C2-C3-N is the level ordering A below S. This in turn is set by maximal through-bond coupling of the empty cation orbital and the nitrogen lone pair. The conformational dependence of through-bond coupling is exactly that derived by Grob, namely parallel orientation of the cation orbital (or the C-X bond), the C2-C3-σ-bond, and the N-lone-pair. When the C1-C2-C3 and C2-C3-N angles are small, the through-space interaction dominates, reversing the level ordering to S below A, and consequently makes the fragmentation forbidden even though the conformational requirements for it are met. Ring closure becomes allowed. Some examples exploiting this result are presented, as well as procedures for enhancing through-bond coupling and thus fragmentation. The through-bond-effect has also kinetic consequences, allowing the definition of a new type of remote neighbouring group participation operative through bonds and not by direct overlap. The position of equilibria in nitrogen inversion processes should also be influenced by remote substituents which are π-acceptors or donors.

Additional Material: 4 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/hlca.19720550315

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6

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What Governs the Stereochemistry of the SN2′ Reaction? (1996)

Borrmann, Tobias ; Stohrer, Wolf-Dieter

Weinheim : Wiley-Blackwell

Liebigs Annalen 1996 (1996), S. 1593-1597

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ISSN: 0947-3440

Keywords: SN2′ reaction ; Stereochemistry ; Calculations, ab initio ; Chemistry ; Organic Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: Ab initio calculations of negatively charged symmetrical and unsymmetrical transition states of the SN2′ reaction indicate that due to electronic reasons and particularly Coulomb interactions the anti transition state is generally more stable than the syn transition state. The experimentally often observed syn preference results mainly from the interaction with a polar solvent and/or the gegenion, which gives rise to higher stabilization of the syn transition state than of the anti transition state.

Additional Material: 2 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/jlac.199619961015

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7

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NMR-Spectroscopic Assignment of the Aib-Methyl Groups in α-Helical and β-Turn Environment with the Use of Selectively Deuterated Aib The Solution Conformations of Boc-Ala-Aib-Ala-OMe (1989)

Leibfritz, Dieter ; Brunne, Roger M. ; Weihrauch, Thomas ; [et al.]

Weinheim : Wiley-Blackwell

Liebigs Annalen 1989 (1989), S. 1017-1027

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ISSN: 0170-2041

Keywords: α-Aminoisobutyric acid ; Molecular dynamics ; Chemistry ; Organic Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Description / Table of Contents: NMR-spektroskopische Zuordnung der Aib-Methylgruppen in α-helikaler und β-Turn-Umgebung mit Hilfe von selektiv deuterierter Aib. - Die Konformationen von Boc-Ala-Aib-Ala-OMe in LösungBoc-Ala-Aib-Ala-OMe (1a) nimmt im Kristall eine β-turn-Typ-II-ähnliche Konformation ein. Aus 13C-CP-MAS-Spektren erhält man eine magnetische Nichtäquivalenz der Aib-Cβ-Atome von 6.1 ppm. Das pro-S-Cβ-Kohlenstoff-Signal ist nach hohem Feld verschoben, wie man durch Vergleich mit den Spektren von Boc-Ala-(R)-Aib[D1]-Ala-OMe (1b) zeigen kann. Diese Zuordnung entspricht der gefundenen Tieffeldverschiebung des pro-S-Cβ-Kohlenstoffs von Aib in der Helix von Boc-[L-Glu(OBzl)]4-Aib[L-Glu(OBzl)]7-O-PEG-M (2a, in der sie mit Hilfe des (R)-Aib[D3] enthaltenen Analogons (2b) belegt wurde. Aus Moleküldynamik-Simulationen leiten wir zwei Hauptkonformationsräume für Boc-Ala-Aib-Ala-OMe in Lösung ab, die die beobachtete MNE von 2.1 ppm, die Amid-Temperaturkoeffizienten, die Kopplungskonstanten und die aus ROESY-Spektren berechneten Abstände erklären.

Notes: Boc-Ala-Aib-Ala-OMe (1a) adopts in the crystal a conformation similar to a β-turn type II. From 13C-CP-MAS spectra the magnetic nonequivalence of the Aib-Cβ atoms amounts to 6.1 ppm. The pro-S-Cβ carbon signal is shifted upfield as can be shown by comparison with the spectra of Boc-Ala-(R)-Aib[D1]-Ala-OMe (1b). This assignment corresponds to a downfield shift of the Aib pro-S-Cβ carbon in the helix of Boc-[L-Glu(OBzl)]4-Aib-[L-Glu(OBzl)]7-O-PEG-M (2a), where it was established with the aid of the (R)-Aib[D3]-containing analog (2b), From molecular dynamics simulations of Boc-Ala-Aib-Ala-OMe we propose two major conformational species in solution that account for the observed MNE of 2.1 ppm, the temperature gradients of the amide protons, the coupling constants, and the distances derived from ROESY spectra.

Additional Material: 4 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/jlac.198919890260

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8

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Zur Stereochemie der SN2′-Reaktion (1983)

Stohrer, Wolf-Dieter

Weinheim : Wiley-Blackwell

Zeitschrift für die chemische Industrie 95 (1983), S. 642-643

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ISSN: 0044-8249

Keywords: Chemistry ; General Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/ange.19830950822

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9

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Effect of Protonation on Aziridine and Oxirane Bond StrengthsWe are grateful to the Deutsche Forschungsgemeinschaft for a stipendium to W.-D. S., and to the National Science Foundation for support of our research. (1972)

Stohrer, Wolf-Dieter ; Hoffmann, Roald

Weinheim : Wiley-Blackwell

Angewandte Chemie International Edition in English 11 (1972), S. 825-826

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ISSN: 0570-0833

Keywords: Chemistry ; General Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/anie.197208251

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10

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Beeinflussung der Bindungsstärken im Aziridin und Oxiran durch Protonierung (1972)

Stohrer, Wolf-Dieter ; Hoffmann, Roald

Weinheim : Wiley-Blackwell

Zeitschrift für die chemische Industrie 84 (1972), S. 820-821

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ISSN: 0044-8249

Keywords: Chemistry ; General Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/ange.19720841706

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