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Planar 1,3lambda4delta2,2,4-benzodithiadiazine and its nonplanar 5,6,7,8-tetrafluoro derivative: gas-phase structures
F Blockhuys1, S L Hinchley, A Y Marakov
1Department of Chemistry, University of Edinburgh, UK.
Abstract:
The gas-phase molecular structures of 1,3lambda4delta2,2,4-benzodithiadiazine and 5,6,7,8-tetrafluoro-1,3lambda4delta2,2,4-benzodithiadiazine have been investigated by ab initio calculations and electron diffraction using the SARACEN method of structural analysis. Important structural parameters (r(h1) structure) for the parent compound were found to be:
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