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- W1569211359 abstract "In order to get more information about the structural chemistry of zwitterionic spirocyclic bis[1,2-benzenediolato(2-)]organosilicates, ab initio studies (RHF/SCF level, optimized SVP basis sets) were performed using the bis[1,2-benzenediolato(2-)]-hydridosilicate(1-) ion as a model. The geometry of the energetically preferred Si-coordination polyhedron of this anion was found to be a slightly distorted trigonal bipyramid (C2 symmetry). Different ligand-exchange processes for this species are postulated, an undistorted square pyramid (C2v symmetry) and a distorted trigonal bipyramid (Cs symmetry) being the transition states for these processes (with energy barriers of 5.82 or 66.5 kJ mol−1). These results are compared with experimental data obtained in temperature-dependent solution-state NMR studies of some of the zwitterionic title compounds containing two identical unsymmetrically substituted 1,2-benzenediolato(2-) ligands." @default.
- W1569211359 created "2016-06-24" @default.
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- W1569211359 date "2005-07-26" @default.
- W1569211359 modified "2023-09-24" @default.
- W1569211359 title "Intramolecular Ligand Exchange of Zwitterionic Spirocyclic Bis [1,2-Benzenediolato(2-)] organosilicates: Ab Initio Studies of the Bis[1,2-Benzenediolato(2-)]-Hydridosilicate(1-) Ion" @default.
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- W1569211359 doi "https://doi.org/10.1002/9783527620777.ch52a" @default.
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