Document Type

Article

Journal/Book Title

Chem. Phys. Lett.

Publication Date

1-1-2012

Volume

536

First Page

30

Last Page

33

DOI

10.1016/j.cplett.2012.03.085

Abstract

The effects of carbon chains placed on the electron-accepting P atom of a P⋯N bond are examined via ab initio calculations. Saturated alkyl groups have a mild weakening effect, regardless of chain length. In contrast, incorporation of double bonds into the chain strengthens the interaction, Ctriple bond; length of mdashC triple bonds even more so. These effects are only slightly enhanced by additional conjugated double bonds or an aromatic ring. Placing F atoms onto the carbon chains strengthens the P⋯N bond, but only by a small amount, which wanes as the F atom is displaced further from the P along the chain.

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