TY - JOUR
T1 - The stabilisation of water as a ligand in lithiated organic compounds
T2 - intra- and inter-molecular hydrogen bonding in the...
AU - Armstrong, David R.
AU - Barr, Donald
AU - Raithby, Paul R.
AU - Snaith, Ronald
AU - Wright, Dominic S.
AU - von Ragué Schleyer, Paul
PY - 1991/7/15
Y1 - 1991/7/15
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.
UR - http://www.scopus.com/inward/record.url?scp=33749629338&partnerID=8YFLogxK
U2 - 10.1016/S0020-1693(00)85439-0
DO - 10.1016/S0020-1693(00)85439-0
M3 - Article
AN - SCOPUS:33749629338
SN - 0020-1693
VL - 185
SP - 163
EP - 167
JO - Inorganica Chimica Acta
JF - Inorganica Chimica Acta
IS - 2
ER -