Do intramolecular halogen bonds exist? Ab initio calculations and crystal structures’ evidences

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The title com pounds have been prepared in partly new ways and their crystal structures determined. The molecular geometries are found similar to those of the respective gas phases and those obtained by ab initio calculations. On the intermolecular level, there are indications of weak hydrogen bonds P-H···F in all three structures and of likewise weak fluorine bridges P-F···P in PH2F3 and PHF2 with the latter further featuring a close P···P contact.


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