Structure and dynamics of eight-membered  P,N -heterocycles in solution

Sh. K. Latypov; A. G. Strelnik; A. S. Balueva; Yu. S. Spiridonova; A. A. Karasik; O. G. Sinyashin

doi:10.1134/S1070363216030142

Structure and dynamics of eight-membered P,N-heterocycles in solution

Authors: Latypov S.K.¹, Strelnik A.G.¹, Balueva A.S.¹, Spiridonova Y.S.¹, Karasik A.A.¹, Sinyashin O.G.¹
Affiliations:
1. Arbuzov Institute of Organic and Physical Chemistry
Issue: Vol 86, No 3 (2016)
Pages: 584-589
Section: Article
URL: https://journals.rcsi.science/1070-3632/article/view/214219
DOI: https://doi.org/10.1134/S1070363216030142
ID: 214219

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Abstract

Conformational analysis of eight-membered P,N-heterocycles (P₂^NR₂^R') in the solution has been performed by means of NMR spectroscopy and quantum chemical calculations. The equilibrium of the С₂-symmetrical (crown, major) and С_s-symmetrical (chair-boat, minor) forms of the compounds has been revealed, the transition barriers being of about 12 kcal/mol. The presence of an aromatic substituent at the nitrogen atom significantly shifts the equilibrium towards the dominating form.