The stabilisation of water as a ligand in lithiated organic compounds: intra- and inter-molecular hydrogen bonding in the...

David R. Armstrong; Donald Barr; Paul R. Raithby; Ronald Snaith; Dominic S. Wright; Paul von Ragué Schleyer

doi:10.1016/S0020-1693(00)85439-0

The stabilisation of water as a ligand in lithiated organic compounds: intra- and inter-molecular hydrogen bonding in the...

David R. Armstrong, Donald Barr, Paul R. Raithby, Ronald Snaith, Dominic S. Wright, Paul von Ragué Schleyer

Research output: Contribution to journal › Article › peer-review

Abstract

Title full: The stabilisation of water as a ligand in lithiated organic compounds: intra- and inter-molecular hydrogen bonding in the structures of the aquo complexes [C₆H₄OC({partial double bond, bottom dashed}S){partial double bond, bottom dashed}NLi·HMPA·H₂O]₂ and [C₆H₄OC({partial double bond, bottom dashed}S){partial double bond, bottom dashed}NLi·HMPA]₂·H₂O. The feasibility of using water as a ligand within lithiated organics has been confirmed through the syntheses and crystal structures of the dimeric 2-mercaptobenzoxazoyllithium complexes [C₆H₄O(C{partial double bond, bottom dashed}S){partial double bond, bottom dashed}NLi·HMPA·H₂O]₂ (1) and [C₆H₄O(C{partial double bond, bottom dashed}S){partial double bond, bottom dashed}NLi·HMPA]₂·H₂O (2) which exhibit intramolecular hydrogen bonding between H₂O and the S^δ- centre of the organic anion and also intermolecular hydrogen bonding, which serves to sew these dimers into extended arrays: ab initio MO calculations on model aquo species have clarified the effects of H₂O complexation and hydrogen bonding, in particular, by demonstrating that incorporated H₂O molecules are activated, e.g. towards further metallation.

Original language	English
Pages (from-to)	163-167
Number of pages	5
Journal	Inorganica Chimica Acta
Volume	185
Issue number	2
DOIs	https://doi.org/10.1016/S0020-1693(00)85439-0
Publication status	Published - 15 Jul 1991

ASJC Scopus subject areas

Physical and Theoretical Chemistry
Inorganic Chemistry
Materials Chemistry

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title = "The stabilisation of water as a ligand in lithiated organic compounds: intra- and inter-molecular hydrogen bonding in the...",

abstract = "Title full: The stabilisation of water as a ligand in lithiated organic compounds: intra- and inter-molecular hydrogen bonding in the structures of the aquo complexes [C6H4OC(\{partial double bond, bottom dashed\}S)\{partial double bond, bottom dashed\}NLi·HMPA·H2O]2 and [C6H4OC(\{partial double bond, bottom dashed\}S)\{partial double bond, bottom dashed\}NLi·HMPA]2·H2O. The feasibility of using water as a ligand within lithiated organics has been confirmed through the syntheses and crystal structures of the dimeric 2-mercaptobenzoxazoyllithium complexes [C6H4O(C\{partial double bond, bottom dashed\}S)\{partial double bond, bottom dashed\}NLi·HMPA·H2O]2 (1) and [C6H4O(C\{partial double bond, bottom dashed\}S)\{partial double bond, bottom dashed\}NLi·HMPA]2·H2O (2) which exhibit intramolecular hydrogen bonding between H2O and the Sδ- centre of the organic anion and also intermolecular hydrogen bonding, which serves to sew these dimers into extended arrays: ab initio MO calculations on model aquo species have clarified the effects of H2O complexation and hydrogen bonding, in particular, by demonstrating that incorporated H2O molecules are activated, e.g. towards further metallation.",

author = "Armstrong, \{David R.\} and Donald Barr and Raithby, \{Paul R.\} and Ronald Snaith and Wright, \{Dominic S.\} and \{von Ragu{\'e} Schleyer\}, Paul",

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AU - Armstrong, David R.

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AU - Snaith, Ronald

AU - Wright, Dominic S.

AU - von Ragué Schleyer, Paul

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N2 - Title full: The stabilisation of water as a ligand in lithiated organic compounds: intra- and inter-molecular hydrogen bonding in the structures of the aquo complexes [C6H4OC({partial double bond, bottom dashed}S){partial double bond, bottom dashed}NLi·HMPA·H2O]2 and [C6H4OC({partial double bond, bottom dashed}S){partial double bond, bottom dashed}NLi·HMPA]2·H2O. The feasibility of using water as a ligand within lithiated organics has been confirmed through the syntheses and crystal structures of the dimeric 2-mercaptobenzoxazoyllithium complexes [C6H4O(C{partial double bond, bottom dashed}S){partial double bond, bottom dashed}NLi·HMPA·H2O]2 (1) and [C6H4O(C{partial double bond, bottom dashed}S){partial double bond, bottom dashed}NLi·HMPA]2·H2O (2) which exhibit intramolecular hydrogen bonding between H2O and the Sδ- centre of the organic anion and also intermolecular hydrogen bonding, which serves to sew these dimers into extended arrays: ab initio MO calculations on model aquo species have clarified the effects of H2O complexation and hydrogen bonding, in particular, by demonstrating that incorporated H2O molecules are activated, e.g. towards further metallation.

AB - Title full: The stabilisation of water as a ligand in lithiated organic compounds: intra- and inter-molecular hydrogen bonding in the structures of the aquo complexes [C6H4OC({partial double bond, bottom dashed}S){partial double bond, bottom dashed}NLi·HMPA·H2O]2 and [C6H4OC({partial double bond, bottom dashed}S){partial double bond, bottom dashed}NLi·HMPA]2·H2O. The feasibility of using water as a ligand within lithiated organics has been confirmed through the syntheses and crystal structures of the dimeric 2-mercaptobenzoxazoyllithium complexes [C6H4O(C{partial double bond, bottom dashed}S){partial double bond, bottom dashed}NLi·HMPA·H2O]2 (1) and [C6H4O(C{partial double bond, bottom dashed}S){partial double bond, bottom dashed}NLi·HMPA]2·H2O (2) which exhibit intramolecular hydrogen bonding between H2O and the Sδ- centre of the organic anion and also intermolecular hydrogen bonding, which serves to sew these dimers into extended arrays: ab initio MO calculations on model aquo species have clarified the effects of H2O complexation and hydrogen bonding, in particular, by demonstrating that incorporated H2O molecules are activated, e.g. towards further metallation.

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The stabilisation of water as a ligand in lithiated organic compounds: intra- and inter-molecular hydrogen bonding in the...

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