Density Functional Theory calculations were carried out to study the structure, energetics of the interactions and nature of the bonds in the metal–alkane σ-complexes of the type M(CO)5(C2H6) M = Cr, Mo, and W. Only the η1 coordination mode through hydrogen is obtained. The ...
Within the polymeric chain, one hydroxyl of the glycol molecule is involved in the strong intramolecular O4–H4···O2 bond (i = –x,–y+2,–z+ 1) to the uncoordinated O2 atom of tfbdc moiety. Moreover, intermolecular O3–H3···O1 bonds (ii = x–1,y,z) connect adjoining ...