Bruce S. Ault
Other affiliations: University of Virginia
Bio: Bruce S. Ault is an academic researcher from University of Cincinnati. The author has contributed to research in topic(s): Matrix isolation & Infrared spectroscopy. The author has an hindex of 30, co-authored 269 publication(s) receiving 4190 citation(s). Previous affiliations of Bruce S. Ault include University of Virginia.
Papers published on a yearly basis
15 Aug 1976-Journal of Chemical Physics
TL;DR: In this paper, the authors investigated the mechanism for trapping new chemical species by condensing the products of a microwave discharge with inert matrices and found that the major product species, HCl2 radical or anion, was formed under conditions where neither ions nor atomic species produced in the discharge were condensed in the matrix.
Abstract: The mechanism for trapping new chemical species by condensing the products of a microwave discharge with inert matrices has been investigated. Variation of geometrical, electrical, and chemical parameters of the Ar, HCl, Cl2 system indicated that the major product species—HCl2 radical or anion—was formed under conditions where neither ions nor atomic species produced in the discharge were condensed in the matrix. The mechanism for forming the product species is vacuum ultraviolet photolysis of the sample during deposition with radiation from the microwave discharge, since a coaxial orifice discharge tube provided photolysis and produced the product species, while studies with an off‐axis orifice discharge tube, which could not serve as a photolysis source, did not produce the product. The H atom–Cl2 reaction gave HCl using both discharge tubes, but the HClx2 species was produced only with the coaxial tube. Hence, this species requires vacuum ultraviolet light in addition to H and Cl atoms for its producti...
01 Jul 1989-Reviews of Modern Physics
TL;DR: In this paper, the authors survey the local density functional formalism and some of its applications and discuss the reasons for the successes and failures of the local-density approximation and some modifications.
Abstract: 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.
09 Jul 2009-Chemical Reviews
24 Feb 2016-Chemical Reviews
TL;DR: 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.
Abstract: 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.
19 Aug 2005-Angewandte Chemie
TL;DR: In this Review, the fundamental characteristics of azide chemistry and current developments are presented and the focus will be placed on cycloadditions (Huisgen reaction), aza ylide chemistry, and the synthesis of heterocycles.
Abstract: 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.