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

Multiphoton ionization of chloromethanes with 193-nm excimer laser radiation in argon matrices

Infrared Spectroscopic Study of the Matrix-Isolated Complexes of TiCl(4) with PH(3) and AsH(3).

Infrared spectroscopic studies of the interaction of chlorine fluoride and chlorine with hydrogen selenide, dimethyl selenide and arsine in argon matrices

The matrix isolation technique and twin-jet deposition have been employed to isolate and characterize the reaction products of the codeposition of trichlorosilane with bases containing nitrogen and oxygen donor atoms. The infrared spectra of these initial reaction products indicate that a complex is formed in which the donor atom of the base interacts with the silicon center on HSiCl 3 . These complexes were characterized by a blue shift of the Si-H stretching mode and red shifts for the Cl-Si-H bending and Si-Cl stretching modes

Infrared matrix isolation studies of molecular interactions: complexes of trichlorosilane, HSiCl3, with selected bases

Infrared spectroscopic characterization of the 1:1 molecular complexes of trimethylindium with PH 3 , AsH 3 , and SbH 3 in argon matrices is reported. This represents the first indentification and characterization of these previously proposed intermediates. A number of vibrational modes of the acid and base subunits in these complexes are observed to shift relative to the parent species, although the shifts were generally smaller in magnitude than those observed for the analogous complexes of (CH 3 ) 3 Ga. The InC 3 symmetric stretching mode was not significantly activated in the complex, further indicating that these complexes are quite weakly bound

Bruce S. Ault

Papers

Multiphoton ionization of chloromethanes with 193-nm excimer laser radiation in argon matrices

Infrared Spectroscopic Study of the Matrix-Isolated Complexes of TiCl(4) with PH(3) and AsH(3).

Infrared spectroscopic studies of the interaction of chlorine fluoride and chlorine with hydrogen selenide, dimethyl selenide and arsine in argon matrices

Infrared matrix isolation studies of molecular interactions: complexes of trichlorosilane, HSiCl3, with selected bases

Infrared spectroscopic characterization of the molecular complexes of trimethylindium with group V hydrides