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The bonding situation in 1,3,2-diazaphospholene derivatives as studied by solid-state NMR spectroscopy

✍ Scribed by Dietrich Gudat; Asadollah Haghverdi; Wilfried Hoffbauer

Publisher
John Wiley and Sons
Year
2002
Tongue
English
Weight
172 KB
Volume
40
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

The ^31^P chemical shift (CS) tensors of the 1,3,2‐diazaphospholenium cation 1 and the P‐chloro‐1,3,2‐diazaphospholenes 2 and 3 and the ^31^P and ^19^F CS tensors of the P‐fluoro‐1,3,2‐diazaphospholene 4 were characterized by solid‐state ^31^P and ^19^F NMR studies and quantum chemical model calculations. The computed orientation of the principal axes system of the ^31^P and ^19^F CS tensors in the P‐fluoro compound was found to be in good agreement with experimentally derived values obtained from evaluation of P–F dipolar interactions. A comparison of the trends in the chemical shifts of 1–4 with further available literature data confirms that the unique high shielding of δ~11~ in the cation 1 can be related to the effective π‐conjugation in the five‐membered heterocycle, and that a further systematic decrease in δ~11~ for the P‐halogen derivatives 2–4 is attributable to the increased perturbation of the π‐electron distribution by interaction with the halide donor. Copyright © 2002 John Wiley & Sons, Ltd.

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