In a recent paper in ChemComm, researchers in Spain and the Netherlands have used a combination of ADF features to unravel the factors behind the fidelity in chemical, template-assisted primer extension. The analyses therein, based...
“Superatomic” molecules and ions are fascinating species in which polyatomic clusters exhibit properties generally associated with single atoms. One of these such metal clusters, [Pt@Pb12]2-, has drawn the attention of Boris Le Guennic at Université...
Relativistic effects usually scale with the square of the atomic number, thereby really affecting the chemical structure and reactivity of heavy elements. If a light atom is interacting with a heavy atom, however, it can...
To pin down the nature of the β-agostic bond in late transition metal complexes, Scherer (Augsburg) and coworkers synthesized [(DCpH)Ni(dtbpe)]+[BF4]– (DCp = dicyclopentadiene, dtbpe = tBu2PCH2CH2PtBu2), a rigid β-agostic complex. In a combined experimental and...
The cooperative reinforcement between hydrogen bonds in Guanine quartets (G4) are not caused by resonance-assisted hydrogen bonding (RAHB). Extensive energy decomposition and Kohn-Sham MO and analyses by Fonseca Guerra (VU Amsterdam) et al. reveal that...
A combined experimental and theoretical study of Bermudez and Robinson (US Naval Research Laboratory) has shown that, although a silica support does not influence the band structure of single-layer graphene, it does influence how water...
With the DFT transition state approximation (DFT-TS) researchers from Trieste have calculated the fine structure near the K absorption edge of C and N atoms in free (H2), Cu, and Ni phthalocyanines (Pc). When core...
Organic molecules adsorbed on a noble metal surface can self-assemble as a result of attractive supramolecular interactions, or repel one another if the amount of charge transferred at the adsorbate-surface interface is large. In order...
In a recent study researchers Drs. Monakhov and Gourlaouen (University of Strasbourg) investigated fundamental bonding and electronic structure aspects of heteroelemental (R2E)3Bi2 bicyclo(1.1.1)pentane complexes (E = C, Si, Ge, Sn, Pb; R = H) and...
Jean-Pierre Dognon, Carine Clavaguéra, and Pekka Pyykkö have predicted a new class of compounds that fulfill the 32-electron rule. In a recent Chemical Science paper, highlighted in Nature Chemistry, they have studied the properties of...