Radicalradical chalcogen bonds: CSD analysis and DFT calculations.

This manuscript reports a combination of crystallographic analysis (Cambridge Structural Database) and theoretical DFT calculations in chalcogen bonding interactions involving radicals in both the Ch bond (ChB) donor and acceptor. As a radical ChB acceptor (nucleophile) we have used benzodithiazolyl radical (BDTA) and as Ch bond donors (electrophile) we have used dithiadiazolyl and diselenadiazolyl radicals of the general formula p-X-C6F4-CNChChN (Ch = S, and Se). We have evaluated how the para substituent (X) affects the interaction energy, spin density and charge/spin transfer from the electron rich BDTA radical to the electron poor dichalcogenadiazolyl ring.

Demographic consequences of poison-related mortality in a threatened bird of prey.

Evidence for decline or threat of wild populations typically comes from multiple sources and methods that allow optimal integration of the available information, representing a major advance in planning management actions. We used integrated population modelling and perturbation analyses to assess the demographic consequences of the illegal use of poison for an insular population of Red Kites, Milvus milvus. We first pooled into a single statistical framework the annual census of breeding pairs, the available individual-based data, the average productivity and the number of birds admitted annually to the local rehabilitation centre.