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We have solved and refined the crystal structure of the orthorhombic gamma-phase of Ca(BD4)(2) by combined synchrotron X-ray powder diffraction, neutron powder diffraction, and ab initio calculations. Among five structural candidates giving the same qualit ...
The aminophosphine C6H4(o-CN)NHPPh2, 1, containing an electron-withdrawing nitrile group, was prepared from the lithiation of 2-aminobenzonitrile followed by addition of Ph2PCl. Lithiation of 1 using (BuLi)-Bu-n affords the anion [Ph2PN(Li)C6H4(o-CN)(thf)] ...
The preparation of single crystals suitable for X-ray analysis is frequently the most difficult step in structural studies of proteins.With the aid of two examples, it is shown that de novo solution of the crystallographic phase problem can be achieved at l ...
We present a review of wave packet dynamics in different systems and stress their relation to information on the ultrafast structural changes. We show how dynamical information is obtained from ultrafast optical pump-probe studies on structural changes in ...
Transient changes in the local structure of optically excited Ti3+ ions in a Al2O3 single crystal are studied by time-resolved x-ray absorption spectroscopy. A model considering coupling of the excited E-2(C-3v) electronic state of the Ti3+ ion to the appr ...
The reaction of [ReBr3(CO)(3)]NEt4 with 3-hydroxy-1,2,3-benzotriazine-4 (3 H) -one in the presence of base gave the ionic rhenium complex [ReBr(C7H4N3O2)(CO)(3)][NEt4] (2) which was crystallographically characterized. A neutral metallamacrocycle 3 was ...
X-ray diffraction (XRD) techniques are widely used in determining crystallographic orientations. In this paper we describe a two-step method to determine the three-dimensional orientations of ferroelectric single crystals based on an improved rotating orie ...
A protocol for the structure determination of powdered solids at natural abundance by NMR is presented and illustrated for the case of the small drug molecule thymol. The procedure uses proton spirt-diffusion data front two-dimensional NMR experiments ill ...
A review. Ultrafast x-ray techniques using diffraction and absorption are discussed with an emphasis on the absorption techniques. Ultrafast x-ray sources and detectors for use in x-ray absorption spectroscopy are also reviewed. [on SciFinder (R)] ...
We present ultrafast x-ray absorption studies of photoexcited aqueous iron trisbipyridine with 160 fs and with 70 ps temporal resolution to monitor the structural evolution in this spin-crossover complex. ...
Springer-Verlag New York, Ms Ingrid Cunningham, 175 Fifth Ave, New York, Ny 10010 Usa2009
