Zur theorie der chiralitätsfunktionen—III

Keller, Hildegard Elisabeth; Krieger, C.; Langer, Elisabeth; Lehner, Harald; Derflinger, Gerhard

doi:10.1016/0040-4020(78)88132-0

Cited by 23 publications

(17 citation statements)

References 21 publications

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“…The following proof demonstrates that pairwise interaction terms including a reference group vanish in molecules of replacing the other ligands by the reference X. One can easily verify that from equation (2), equation (7) follows. As the compounds (11)-(V) are in a bi-unique correspondence to the four contributing pairs of compound (I), and ~( 1 ) is given by the sum (7), their chirality observations ~( 1 1 ) * * x(V) fulfil all formal requirements of pairwise interaction terms in compound (I) and may therefore be identified with these.…”

Section: Appendixmentioning

confidence: 72%

Quantitative description of optical activity using the principle of pairwise interactions: 2,2′-spirobi-indanes

Langer¹,

Lehner²,

Derflinger³

1984

J. Chem. Soc., Perkin Trans. 2

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The molar rotations [MI 589 of chiral, optically active tri-and tetra-substituted 2,2'-spirobi-indanes are described b y means of Kauzmann's Principle of Pairwise Interactions (PPI). Additionally, the relation derived from the PPI gives encouraging results for the description of the circular dichroism. The results obtained are compared with those gained b y means of the Theory of Chirality Functions (TCF). Furthermore, Kauzmann's theory gives evidence as t o which classes of molecules might benefit from application of a semiempirical method for the quantitative description of chiroptical properties. Thus, the great success of the TCF for classes of compounds with D 2 d symmetry of the skeleton is due t o the cancellation of all (pairwise) ligand-core interaction terms b y symmetry.

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Section: Appendixmentioning

confidence: 72%

Quantitative description of optical activity using the principle of pairwise interactions: 2,2′-spirobi-indanes

Langer¹,

Lehner²,

Derflinger³

1984

J. Chem. Soc., Perkin Trans. 2

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“…2 zusammengestellt. Die C -S-Bindungslangen in l c ergeben sich zu 1.846(11) bis 1.848 (10) A (CH2-S) bzw. 1.784(09) bis 1.774(09) A (m-Phenylen-S).…”

Section: Rontgenstrukturanalyse Von ( + ) -L Cunclassified

Neue planar‐chirale Moleküle – Synthese, Enantiomerentrennung, Circulardichroismus, Racemisierungsschwelle und Röntgenstrukturanalyse in der Dithia [2.2]metacyclophan‐Reihe

et al. 1983

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“…[1,13,14]). Als Ergebnis erh~ilt man dabei jedoch nur eine Antwort auf die Frage, ob der "plausible und mathematisch einfache" Niiherungsansatz von physikalischer Bedeutung ist oder nicht.…”

Section: Die Niiherungsansiitzeunclassified

“…Weil bei der algebraischen Theorie keine quantitativen physikalischen Argumente Beriicksichtigung finden, kommt es, dab Nfiherungsansfitze-obwohl qualitativ vollst~indig-nicht immer eine zufriedenstellende quantitative Beschreibung des Chiralitfitsphfinomens zu geben in der Lage sind [ 1,13], vgl. auch Abschnitt 4.…”

Section: Die Niiherungsansiitzeunclassified