Persistent Planar Tetracoordinate Carbon in Global Minima Structures of Silicon-Carbon Clusters

Recent advances in planar tetracoordinate carbon chemistry

We summarize our contributions on the quest of new planar tetracoordinate carbon entities (new carbon molecules with exotic chemical structures and strange bonding schemes). We give special emphasis on the rationalization why in this type of molecules the planar configuration is favored over the tetrahedral one. We will concentrate on the latter and will show that molecules containing planar te...

Planar tetracoordinate carbon in extended systems.

A recently proposed system with a central planar tetracoordinate carbon linking two three-membered rings, C(5)(2-), lends itself to extension in one, two, and three dimensions. Our construction of potential realizations begins with an analysis of the electronic structure of C(5)(2-). Dimers such as C(10)Li(3-), C(10)Li(4), and a trimer C(15)Li(6) are then examined, and their geometries are opti...

Plane and simple: planar tetracoordinate carbon centers in small molecules.

A class of neutral 18-electron molecules with planar tetracoordinate carbon (ptC) centers is introduced. We show computationally that when n = 3 the neutral singlet molecule C(BeH)(n)(BH(2))(4-n) and other isoelectronic (18-valence electron) molecules of main group elements collapse from locally tetrahedral arrangements at the C-center to (near) planar tetracoordinate structures. For C(BeH)(3)B...

Plane and simple: planar tetracoordinate carbon centers in small moleculesw

Planar tetracoordinate carbon in tungstenacyclobutadiene from alkyne metathesis and expanded structures.

The planar tetracoordinate (ptC) character of Cβ in the tungstenacyclobutadiene (WCBD) from alkyne metathesis is analyzed with the support of structural, electronic, molecular orbital and electron density data obtained from density functional theory calculations. The ptC character of Cβ is due to 1,3-WC bonding, which is established on the basis of the single bond-like WCβ distance in X-ray str...