The synthesis of a silyliumylidene cation complex 2 stabilized by Ni0-based donating ligand is reported. Experimental and theoretical studies demonstrate that the highly electrophilic SiII center dative Ni→Si σ-interaction π-donations from amino- Ni-moieties. Due to energetically close frontier orbitals localized on Si Ni atoms, presents competitive reactivity at sites.

After a brief discussion of the σ-hole concept and the significance of molecular electrostatic potentials in noncovalent interactions, we draw attention to some common misconceptions that are encountered in that context: (1) Since the electrostatic potential reflects the contributions of both the nuclei and the electrons, it cannot be assumed that negative potentials correspond to “electron-ric...

In these Notes we discuss some thermodynamic and dynamical properties of models of systems in which the two-body interaction potential between particles decays algebraically with their relative distance r at large distances. Typically the potential decays as 1/r d+σ in d dimensions and it may either be isotropic or non-isotropic (as in the case of magnetic or electric dipolar interactions). In ...

Leading charm hadrons produced in hadron-nucleus interactions cannot be adequately described within the parton fusion model. Recent results on charm baryon production in Σ − A interactions at 330 GeV with the WA89 detector disagree with fusion predictions. Intrinsic heavy quark pairs in the Σ − (dds) wavefunction provide a simple mechanism for producing fast charm hadrons. We calculate leading ...

A route for systematically accessing the oxo atoms of linear uranyl (UO22+) cation via cation–cation and halogen bonding interactions is detailed, interaction strengths are probed structural, vibrational, computational means.

a new proton transfer compound, formulated as (hamp-6-pic)(hpyzd) ∙h2o (1), has been synthesized from the reaction of pyrazine-2,3-dicarboxylic acid (h2pyzd)  and 2-amino-6-methyl pyridine (amp-6-pic), in 1:1 molar ratio. extensive o−h×××o, n−h×××n and o−h×××o hydrogen bonds involving (hamp-6-pic)+ cation, (hpyzd)- anion and co-crystal water molecule٫ static electronic٫ and π…π stacking interac...

Abstract. Proton exchange membrane (PEM) electrolysis is one of the waters splitting techniques available for producing green hydrogen. As such, improvement ion conductivity will result in hydrogen production. Ionic liquids have recently been reported to enhance ionic PEM. Herein, a screening method select suitable development efficient proton membrane. COnductor-like Screening MOdel Realistic ...