We report the dynamic nuclear polarization of (1)H spins in magic-angle-spinning spectra recorded at 5 T and 84 K via the solid effect using Mn(2+) and Gd(3+) complexes as polarizing agents. We show that the magnitude of the enhancements can be directly related to the effective line width of the central (m(S) = -1/2 → +1/2) EPR transition. Using a Gd(3+) complex with a narrow central transition...

A facile alkenylation of quinazolines with unactivated terminal alkynes has been achieved in the presence of KOtBu without the aid of any transition metal catalysts. The reaction is carried out under very mild conditions and shows a high stereoselectivity. A possible radical-based mechanism is also explored.

We report a class of ligands that are candidates to construct metal-organic frameworks with long-range magnetic order between transition metal centres. Direct quantum chemical calculations predict Néel temperatures exceeding 100 K for the case of Mn.

This communication reports an asymmetric charge transport with a large rectification ratio and finely featured NDR (negative differential resistance) by d-orbitals of a neutral ruthenium(ii) complex with a C(2) axis of symmetry.

Transition metal-exchanged polymer resin beads have been used as a heterogeneous controlled-release source of metal cations in high yielding, phase pure solvothermal syntheses of novel transition metal-organic frameworks.

We present a density-functional theory trend study addressing the incorporation of oxygen into the basal plane of the late 4d transition metals (TMs) from Ru to Ag. Occupation of subsurface sites is always connected with a significant distortion of the host lattice, rendering it initially less favorable than on-surface chemisorption. Penetration starts only after a critical coverage theta(c), w...

The electronic and geometric structures of carbyne on various transition metal surfaces were investigated by theoretical calculations. It was found that carbyne on non-active metal surfaces has a polyynic structure, while a polycumulenic structure is more stable on active catalyst surfaces. The self-assembly of carbyne on a metal substrate could lead to the synthesis of graphyne.

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