A scheme that reduces the calculations of ground-state properties of systems of interacting particles exactly to the solution of single-particle Hartree-type equations has obvious advantages. It is not surprising, then, that the density functional formalism, which provides a way of doing this, has received much attention in the past two decades. The quality of the energy surfaces calculated using a simple local-density approximation for exchange and correlation exceeds by far the original expectations. In this work, the authors survey the formalism and some of its applications (in particular to atoms and small molecules) and discuss the reasons for the successes and failures of the local-density approximation and some of its modifications.

The density functional formalism, its applications and prospects

N-Heterocyclic Carbenes in Late Transition Metal Catalysis

The halogen bond occurs when there is evidence of a net attractive interaction between an electrophilic region associated with a halogen atom in a molecular entity and a nucleophilic region in another, or the same, molecular entity. In this fairly extensive review, after a brief history of the interaction, we will provide the reader with a snapshot of where the research on the halogen bond is now, and, perhaps, where it is going. The specific advantages brought up by a design based on the use of the halogen bond will be demonstrated in quite different fields spanning from material sciences to biomolecular recognition and drug design.

The Halogen Bond

Since the discovery of organic azides by Peter Griess more than 140 years ago, numerous syntheses of these energy-rich molecules have been developed. In more recent times in particular, completely new perspectives have been developed for their use in peptide chemistry, combinatorial chemistry, and heterocyclic synthesis. Organic azides have assumed an important position at the interface between chemistry, biology, medicine, and materials science. In this Review, the fundamental characteristics of azide chemistry and current developments are presented. The focus will be placed on cycloadditions (Huisgen reaction), aza ylide chemistry, and the synthesis of heterocycles. Further reactions such as the aza-Wittig reaction, the Sundberg rearrangement, the Staudinger ligation, the Boyer and Boyer-Aube rearrangements, the Curtius rearrangement, the Schmidt rearrangement, and the Hemetsberger rearrangement bear witness to the versatility of modern azide chemistry.

Organic Azides: An Exploding Diversity of a Unique Class of Compounds

The review covers the knowledge on photoremovable protecting
groups and includes all relevant chromophores studied in the
time period of 2000–2012; the most relevant earlier works are
also discussed.

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Photoremovable Protecting Groups in Chemistry and Biology: Reaction Mechanisms and Efficacy

Infrared Spectroscopic Studies of the Interaction of CIF and Cl2 with H2Se, (CH3)2Se, and AsH3 in Argon Matrices.

Reactions of C 6 H 6 and C 6 D 6 after exposure to a corona-excited discharge have been studied by the trapping of products into an argon matrix at 14 K. Infrared spectroscopy was employed to identify product species; most were shown species and identified by comparison to literature spectra. Tentative assignments for several previously unreported deuterated products are made. The product distribution included species from both rearrangement and dissociation processes. In general, the product distribution differed from previous UV irradiation studies; a mechanism for product formation is proposed

Matrix Isolation Study of the Dissociation and Isomerization Pathways of Benzene Following Corona Discharge Excitation

Infrared, raman, and ultraviolet spectra of m+clf- species in solid argon

La reaction entre halogenure d'alkyle et formaldehyde ne donne pas naissance au transfert d'anion halogenure attendu et a la formation de l'anion CH 2 XO − . On observe plutot une interaction ion-dipole inhabituelle

Bruce S. Ault

Papers

Infrared Spectroscopic Studies of the Interaction of CIF and Cl2 with H2Se, (CH3)2Se, and AsH3 in Argon Matrices.

Matrix Isolation Study of the Dissociation and Isomerization Pathways of Benzene Following Corona Discharge Excitation

Infrared, raman, and ultraviolet spectra of m+clf- species in solid argon

Formation and structure of an unusual complex from the reaction of formaldehyde with alkali halide salt molecules in argon matrices

Argon matrix isolation study of the interaction of VCl4 with (CH3)2CO