The Molecular Structure and NMR Properties of P-Phosphinoylmethyl Aminophosphonium Salts |
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Authors: | Carmen López-Leonardo Mateo Alajarín Pilar Llamas-Lorente Delia Bautista María Luisa Jimeno Ibon Alkorta José Elguero |
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Affiliation: | (1) Departamento de Química Orgánica, Facultad de Química, Universidad de Murcia, Campus de Espinardo, E-30100 Murcia, Spain;(2) Servicio Universitario de Instrumentación Científica, Edificio SACE, Universidad de Murcia, Campus de Espinardo, E-30100 Murcia, Spain;(3) Instituto de Química Médica, Centro de Química Orgánica Manuel Lora Tamayo, CSIC, Juan de la Cierva, 3, E-28006 Madrid, Spain |
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Abstract: | The molecular structures of two aminophosphonium salts (bromide and tetrafluoroborate) have been determined by X-ray analysis. They have similar conformations and hydrogen bond (HB) networks: the N–H acid proton is bonded to the anion and, in the case of the fluoroborate, to the oxygen atom of the phosphine oxide, forming a pseudo six-membered ring closed by a weak N–HO intramolecular hydrogen bond (IMHB). These compounds have been studied by multinuclear NMR in solution, including the 15N-labeled derivatives, to determine a complete set of coupling constants. A coupling of 1.5 Hz between the 15N and the 31P nuclei, separated by three bonds, was observed experimentally for the bromide in CDCl3 solution, which appears to be a classical 3JN-P across the covalent bonds and not a 3hJN-P across the IMHB. |
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Keywords: | Coupling constants intramolecular hydrogen bonds 15N-labeled derivatives aminophosphonium salts |
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