Si-O and P-O motifs in inorganic rings and clusters

f-Element disiloxanediolates: novel Si-O-based inorganic heterocycles.

The preparation and structural characterization of scandium and f-element complexes derived from the disiloxanediolate dianion, [(Ph2SiO)2O]2-, are reported. Reactions of in situ prepared Ln[N(SiMe3)2]3 (Ln = Eu, Sm, Gd) with (Ph2SiOH)2O in different stoichiometries afforded the lanthanide disiloxanediolates [Eu[[(Ph2SiO)2O]Li(Et2O)]3] (1), [[[(Ph2SiO)2O]Li(dme)]2SmCl(dme)] (2), and [[[((Ph2SiO...

Impact of O-Si-O bond angle fluctuations on the Si-O bond-breakage rate

We extend the McPherson model for silicon-oxygen bond-breakage in a way to capture the impact of the O-Si-O angle fluctuations on the breakage rate. It is shown that the mean rate is more than 5 times higher and its standard deviation is comparable to the nominal rate corresponding to the fixed angle (typical for α-quartz). The mean rate has appeared to grow exponentially with the electric fiel...

Zwitterionic Si-C-Si-P and Si-P-Si-P four-membered rings with two-coordinate phosphorus atoms.

Vibrational spectra and structures of bare and Xe-tagged cationic Si(n)O(m)⁺ clusters.

Vibrational spectra of Xe-tagged cationic silicon oxide clusters Si(n)O(m)(+) with n = 3-5 and m = n, n ± 1 in the gas phase are obtained by resonant infrared multiple photon dissociation (IRMPD) spectroscopy and density functional theory calculations. The Si(n)O(m)(+) clusters are produced in a laser vaporization ion source and Xe complexes are formed after thermalization to 100 K. The cluster...

Experimental and theoretical studies on inorganic magic clusters : M4X6 (M = W, Mo, X = O, S)

Studies using ultraviolet photoelectron spectroscopy (UPS) and density functional theory (DFT) demonstrate that M4X6 (M = W, Mo and X = O, S) clusters show large gaps (about 2 eV) between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO), indicative of their high stability and chemical inertness. In particular, W4O6 has a lower symmetry and a large...