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

Etude et caracterisation des especes H 2 O•GeF 4 , CH 3 (H)O•GeF 4 , (CH 3 ) 2 O•GeF 4 , CD 2 O•GeF 4 et (CH 3 ) 2 CO•GeF 4 . Les spectres IR montrent que tous les composes sont lies par l'intermediaire de O au centre Ge. Comparaison avec des complexes deja etudies SiF 4

Infrared matrix isolation study of intermediate molecular complexes: complexes of tetrafluorogermane with oxygen-containing bases

Various xenon/fluorine mixtures were photolyzed in solid argon matrices and examined in the infrared spectral region with either a Fourier transform spectrometer or with a grating spectrometer. After photolysis, a strong peak was observed at 215 cm−1 in addition to the known XeF2(ν3) peak at 549 cm−1. The appearance of the same two bands in Ar matrices containing the vapors over XeF2 indicated the assignment of the 215 cm−1 band to XeF2(ν2). The fundamental of XeF was not observed either because it is masked by the XeF2(ν2) peak or because it has a small infrared absorption coefficient.

A search for the infrared fundamental of matrix-isolated XeF

Coupling of a corona discharge to matrix isolation for the production of intermediates: the CCl4 system

Matrix isolation study of intermediates in the reaction of CrCl 2 O 2 with CH 3 SH and (CH 3 ) 2 S

Merged jet copyrolysis of mixtures of Ar/B 2 H 6 and Ar/CH 3 OH followed by trapping into a cryogenic matrix has led to the formation, isolation, and characterization of methoxyborane, H 2 B=OCH 3 . The same product was observed in lesser yield following merged jet copyrolysis of B 2 H 6 and (CH 3 ) 2 O; ethoxyborane was detected following copyrolysis of mixtures of B 2 H 6 and C 2 H 5 OH in argon

Bruce S. Ault

Papers

Infrared matrix isolation study of intermediate molecular complexes: complexes of tetrafluorogermane with oxygen-containing bases

A search for the infrared fundamental of matrix-isolated XeF

Coupling of a corona discharge to matrix isolation for the production of intermediates: the CCl4 system

Matrix isolation study of intermediates in the reaction of CrCl 2 O 2 with CH 3 SH and (CH 3 ) 2 S

Matrix isolation study of the reaction of diborane with methanol: spectroscopic characterization of methoxyborane, H2B=OCH3