Synthesis, Structure and Properties of Various Molecules Based on the 4,8,12-trioxa-4,8,12,12c-tetrahydrodibenzo[cd,mn]pyrene System With an Evaluation of the Effect Differing Molecular Substitution Patterns Has on the Space Group Symmetry

André Faldt, Frederik C Krebs, Niels Thorup

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

4,8,12-Trioxa-4,8,12,12c-tetrahydrodibenzo [cd,mn]pyrene (3),2,6,10-tri-tert-butyl-4,8,12 -trioxa-4,8,12,12c-tetrahydrodibenzo [cd,mn]pyrene (11) and 2,6,10-tri-tert-butyl-4,8,12-trioxa-12c -methyl-4,8,12,12c -tetrahydrodibenzo[cd,mn]pyrene (12)have been synthesised and their crystal structures determined, The crystal structure of4,8,12-trioxa-12c-oxophospha-4,8,12,12c-tetrahydrodibenzo[cd,mn] pyrene (13) has also been determined for comparison, Compounds 3 and 11 crystallise in non-centrosymmetric space groups, Compound 12 also crystallises in a centrosymmetric :space group but molecules of opposite chirality are present within the unit cell, Finally compound 13 crystallises in a centrosymmetric space group. The room temperature pyroelectric coefficient of 3 has been determined, The spatial extent of the trioxatriangulene ground system has been perturbed by chemical substitution and the effect: of the substitutions upon the space group symmetry of the chemical derivative has been uncovered by X-ray structural resolution, The non-centrosymmetric point group symmetry of the molecules is reflected in a non-centrosymmetric space group symmetry whenever the spatial perturbations do not prohibit the stacking of the molecules.
Original languageEnglish
JournalRoyal Chemical Society. Journal. Perkin Transactions 2
Issue number11
Pages (from-to)2219-2227
ISSN1472-779X
DOIs
Publication statusPublished - 1997

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