CrystEngComm Blog

In this CrystEngComm Hot Article, which is part of a themed issue celebrating the achievements of the late Professor Fumio Toda entitled “Reactions in Molecular Solids and Host-Guest Systems“, Anthony Coleman and Oksana Danylyuk et al. report their results on a systematic investigation of the solid-state complexes of para-sulphonato calix[4]arene (C4S) with 1,10-phenanthroline (Phen).  The team prepared four supramolecular complexes of C4S with Phen in single-crystal form and their structures determined by X-ray diffraction.

Cyclodextrins, crown ethers, cryptands and calix[n]arenes are the most important categories of supramolecular hosts. Acid derivatives such as para-sulphonato-, O-phosphonato- or O-alkylcarboxylato-calix[n]arenes present the advantage of being hydrosoluble and thus apt for study with regard to their biological properties and their complexation abilities towards molecules of biological interest.

Read the article for free until 29th April 2011 here.

Supramolecular versatility in the solid-state complexes of para-sulphonatocalix[4]arene with phenanthroline
Barbara Lesniewska, Oksana Danylyuk, Kinga Suwinska, Tomasz Wojciechowski and Anthony W. Coleman
CrystEngComm, 2011, Advance Article, DOI:10.1039/C0CE00515K

In this Perspective article, Gerd Kaupp, from the University of Oldenburg, Germany looks at the varied use of milling with metals according to reaction types.

This is an essential guide to mechanical milling, where Kaupp covers the bredth of the field from alloying, brittle milling and ductile kneading, to milling of metals with infinitely covalent non-metals, with metal salts and hydrides, molecular crystals and carbon, with gases, and with organic halides and ketones, as well as with other metals.

Kaupp particularly emphasises that in many cases it is easy to reduce the long milling times found in a great deal of the literature  ‘based on the chemical and technical understanding of the various processes’.

Read the full article to find out more about ways to improve your milling…

Reactive milling with metals for environmentally benign sustainable production
G. Kaupp
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C1CE05085K, Highlight

In this CrystEngComm Hot Article, Angelo Gavezzotti from the University of Milan has developed a new algorithm to simulate the processes that lead from an isotropic liquid to a crystal structure.

The procedure was applied to the transformation of n-hexane from a liquid to a solid and the structure generated was very similar to the real crystal structure.

It is currently very difficult to experimentally monitor the early stages of molecular recognition and aggregation in a liquid that lead to the nucleation of crystals of organic molecules.

This simulation will provide new insight into the process of molecular crystallization.

Read more for FREE until Thursday 21st April 2011.

Can a computer crystallize a liquid? Molecular simulation of continuous trajectories from liquid to crystalline n-hexane
Angelo Gavezzotti
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C1CE05106G, Paper

In this CrystEngComm Hot Article, Zhang et al. synthesised Si-doped In₂O₃(ZnO)₃ (SDIZO) nanobelts using chemical vapour deposition (CVD).  The Si behaves as a suitable n-type dopant that gives stable n-type conductivity with high electron concentration and low resistivity.  The electron transport properties of the nanobelt devices show a non-linear characteristic due to the existence of the intrinsic statistical potential distribution.

Transparent oxide semiconductor (TOS) thin films with high optical transparency and good controllability of carrier generation have been studied intensively for photonic and electronic devices, such as, short-wavelength light emitting diodes and transparent field-effect transistors (TFETs).

Read this article for free until 20th April 2011 here.

Synthesis and transport properties of Si-doped In₂O₃(ZnO)₃ superlattice nanobelts
J. Y. Zhang, Y. Lang, Z. Q. Chu, X. Liu, L. L. Wu and X. T. Zhang
CrystEngComm, 2011, Advance Article, DOI: 10.1039/C1CE00004G