Crystals, Volume 6, Issue 4

The crystal structure of the methanol hemisolvate of 5,5-dibromobarbituric acid (1MH) displays an H-bonded layer structure which is based on N–H∙∙∙O=C, N–H∙∙∙O(MeOH) and (MeOH)O–H∙∙∙O interactions. The barbiturate molecules form an H-bonded substruct...

With the aid of 2D computer simulations, the whole colloidal crystallization process for particles interacting with a short-ranged attractive potential is described, emphazising the visualization of the different subprocesses at the particle level. S...

Phononic crystals can be used to control elastic waves due to their frequency bands. This paper analyzes the passive and active control as well as the dispersion properties of longitudinal waves in rod-type piezoelectric phononic crystals over large...

There are two classes of phononic structures that can support elastic waves with non-conventional topology, namely intrinsic and extrinsic systems. The non-conventional topology of elastic wave results from breaking time reversal symmetry (T-symmetry...

Crystals of congruently melting noncentrosymmetric (NCS) mixed alkali metal nitrate, Rb₂Na(NO₃)₃, have been grown through solid state reactions. The material possesses layers with NaO₈ hexagonal bipyramids and NO₃ triangular units. Rb⁺ cations are re...

In this perspective article, we revise some of the empirical and semi-empirical strategies for predicting how hydrogen bonding affects molecular and atomic polarizabilities in aggregates. We use p-nitroaniline and hydrated oxalic acid as working exam...

1,3-Disubstituted 2-azidoimidazolium salts (substituents = methyl, methoxy; anion = PF₆) reacted with N-heterocyclic carbenes to yield yellow 2-(1-(azolinylidene)triazen-3-yl)-1,3-R₂-imidazolium salts (azole = 1,3-dimethylimidazole, 1,3-dimethoxyimid...

We use Raman spectroscopy to characterize thin films of pentacene grown on Si/SiO x by Supersonic Molecular Beam Deposition (SuMBD). We find that films up to a thickness of about 781 Å (∼ 52 monolayers) all belong to the so-called thin-film (...

This article addresses the question of the possibility of obtaining high-spin chains and crowns of magnetic units s = 1 from doped (by a hole) antiferromagnetic architectures. It aims at determining the range of values of the double-exchange model in...

Isomorphous crystals of two diacetylene derivatives with carbamate functionality (BocNH-CH₂-diyne-X, where X = H or Br) have been obtained. The main feature of these structures is the original 2D arrangement (as supramolecular sheets or walls) in whi...

Reaction of Co(NCS)₂ with 4-(hydroxymethyl)pyridine (hmpy) leads to the formation of six new coordination compounds with the composition [Co(NCS)₂(hmpy))₄] (1), [Co(NCS)₂(hmpy)₄] × H₂O (1-H₂O), [Co(NCS)₂(hmpy)₂(EtOH)₂] (2), [Co(NCS)₂(hmpy)₂(H₂O)₂] (3...

The mining industry is facing problems of clean production in terms of mineral processing, pollution, water consumption, and renewable energy. An interesting outlook can be to combine the mining industry with membrane-based desalination in the logic...

Intermetallic crystal structures offer an enormous structural diversity, with an endless array of structural motifs whose connection to stability and physical properties are often mysterious. Making sense of the often complex crystal structures that...

Saturated acyclic four-atom groups closed with a classic intramolecular hydrogen bond, generating planar five-membered rings (hydrogen-bridged quasi-rings), in which at least one of the ring atoms is bonded to other non-ring atoms that are not in the...

The studies on the resistance to degradation of capillary polypropylene membranes assembled in a membrane crystallizer were performed. The supersaturation state of salt was achieved by evaporation of water from the NaCl saturated solutions using memb...

The work of adhesion and the interface energy of NiAl/V coherent interface systems have been investigated using first-principles methods. The adhesion of the Ni-terminated interface is larger than the Al-terminated interface. The difference in charge...