A neutral analogue of a phosphamethine cyanine.

Mario Cicač-HudiManuel KaazNicholas BirchallMartin Nieger Dietrich Gudat

Published in: Dalton transactions (Cambridge, England : 2003) (2022)

Reaction of an imidazolio-phosphide with an N-heterocyclic bromo-borane and NaH afforded a neutral analogue of a phosphamethine cyanine cation. DFT studies were used to analyse the dative bonding across P-C/B bonds and the conformational preferences and imply that the observed conformation is imposed by sterics.

Keyphrases

molecular dynamics simulations
molecular docking
molecular dynamics
crystal structure
density functional theory
single molecule
ionic liquid
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