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

Transient species of importance in the stoichiometric hydroformylation reaction I. Evidence for HCo(CO)3 by matrix isolation

Matrix-isolation studies of Lewis acid/base interactions: infrared spectra of the 1:1 adduct SiF4.cntdot.NH3

Infrared matrix isolation study of the hydrogen-bonded complexes between formaldehyde and the hydrogen halides and cyanide

Utilisation de la technique d'isolement en matrice pour isoler et caracteriser les complexes 1:1 par liaison hydrogene entre HF, HI, HCN et le cyclopropane; les spectres sont en accord avec les structures C 2v determinees par spectroscopie de rotation en phase gazeuse; observation d'un complexe 1:2

Bruce S. Ault

Papers

Transient species of importance in the stoichiometric hydroformylation reaction I. Evidence for HCo(CO)3 by matrix isolation

Matrix-isolation studies of Lewis acid/base interactions: infrared spectra of the 1:1 adduct SiF4.cntdot.NH3

Infrared matrix isolation study of the hydrogen-bonded complexes between formaldehyde and the hydrogen halides and cyanide

Infrared matrix isolation study of the 1:1 molecular complexes of the hydrogen halides and hydrogen cyanide with cyclopropane

Ultraviolet absorption spectra of Zn2 and Cd2 in solid argon and krypton at 10 K