A series of five novel sandwich-type mixed (phthalocyaninato)(porphyrinato) europium triple-decker complexes with different numbers of hydroxyl groups at the meso-substituted phenyl groups of porphyrin ligand 1-5 have been designed, synthesized, and characterized. Their self-assembly properties, in particular the effects of the number and positions of hydroxyl groups on the morphology of self-a...

A study of the intermolecular potential-energy surface ~IPS! and the intermolecular states of the perprotonated and perdeuterated benzene–He complex is reported. From a fit to ab initio data computed within the coupled cluster singles and doubles including connected triples model for 280 interaction geometries, an analytic IPS including twoto four-body atom–atom terms is obtained. This IPS, and...

The temperature curve of the contour shape depolarized part molecular scattering light has been measured in liquid bromine benzene. It shown that regularities observed can be interpreted with a mechanism retarded rotation molecules regard for specificity intermolecular interaction

The intermolecular π-π stacking interaction between some phenothiazine derivatives has been investigated using the Hartree-Fock (HF) and the local second order Møller-Plesset perturbation theory (LMP2) methods. Two different conformations (parallel and antiparallel stacking) of ethyl-phenothiazine and the parallel stacking of thio-methyl-phenothiazine were investigated. In all three cases the H...

The subsystem formulation of density functional theory is used to obtain equilibrium geometries and interaction energies for a representative set of noncovalently bound intermolecular complexes. The results are compared with literature benchmark data. The range of applicability of two considered approximations to the exchange-correlation- and nonadditive kinetic energy components of the total e...

We present a room temperature STM study of perylene adsorption on Ag(110) at the monolayer coverage regime. We found that structure and symmetry of the perylene monolayer are settled by thermodynamic balance of the three factors: (i) the ability of perylene molecules to recognize specific adsorption sites on the (110) lattice, (ii) the intermolecular interaction, and (iii) the accommodation of ...

Most of the crystallographic analysis that follows from structure determination involves interpretation of the molecular geometry and a working knowledge of a variety of intraand intermolecular interactions based purely on geometrical considerations (distance and angle cut off criteria). The missing link is to explore the energetics associated with these interactions, particularly intermolecula...

High pressure crystallographic studies on [1,4-C6H4{PPh2(AuCl)}2] (1) reveal the largest pressure-induced contraction of an aurophilic interaction observed for any Au(i) complex; Hirshfeld surface analysis and Raman spectroscopy reveal the presence of several types of intermolecular interaction, which play an important role in the behaviour of 1 as a function of pressure.