[Li{CH(Me)P(Ph)2(NCO2Me)}2(THF)2]: Crystal, Solution, and Calculated Structure of a N-Delocalized Lithium Phosphazene

The first crystal structure of the lithium complex of a P-alkyl-P,P-diphenyl(N-methoxycarbonyl)phosphazene has been characterized. It is dimeric, with the anion chelating the lithium in an unusual six-membered ring. A monomer−dimer equilibrium has been identified in THF solution. Ab initio calculati...

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Veröffentlicht in:	Journal of the American Chemical Society 2002-12, Vol.124 (51), p.15184-15185
Hauptverfasser:	Fernández, Ignacio, Álvarez Gutíerrez, Julia María, Kocher, Nikolaus, Leusser, Dirk, Stalke, Dietmar, González, Javier, López Ortiz, Fernando
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: structure, mechanical and thermal properties Exact sciences and technology Magnetic resonance techniques mössbauer spectroscopy Organic compounds Organometalloidal and organometallic compounds Other methods of structure determination Physics Structure of solids and liquids crystallography Structure of specific crystalline solids
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container_title	Journal of the American Chemical Society
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creator	Fernández, Ignacio Álvarez Gutíerrez, Julia María Kocher, Nikolaus Leusser, Dirk Stalke, Dietmar González, Javier López Ortiz, Fernando
description	The first crystal structure of the lithium complex of a P-alkyl-P,P-diphenyl(N-methoxycarbonyl)phosphazene has been characterized. It is dimeric, with the anion chelating the lithium in an unusual six-membered ring. A monomer−dimer equilibrium has been identified in THF solution. Ab initio calculations indicated that the six-membered ring is electronically favored over an alternative Li−C−P−N four-membered ring.
doi_str_mv	10.1021/ja027469+
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subjects	Condensed matter: structure, mechanical and thermal properties Exact sciences and technology Magnetic resonance techniques mössbauer spectroscopy Organic compounds Organometalloidal and organometallic compounds Other methods of structure determination Physics Structure of solids and liquids crystallography Structure of specific crystalline solids
title	[Li{CH(Me)P(Ph)2(NCO2Me)}2(THF)2]: Crystal, Solution, and Calculated Structure of a N-Delocalized Lithium Phosphazene
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