Topic
Chemical binding
About: Chemical binding is a research topic. Over the lifetime, 1822 publications have been published within this topic receiving 52516 citations.
Papers published on a yearly basis
Papers
More filters
TL;DR: In this article, the quantum mechanical wave functions of molecules are discussed and an attempt is made to effect a simultaneous regional and physical partitioning of the molecular density, the molecular pair density, and the molecular energy, in such a way that meaningful concepts can be associated with the density and energy fragments thus formed.
Abstract: The quantum mechanical wave functions of molecules are discussed. An attempt is made to effect a simultaneous regional and physical partitioning of the molecular density, the molecular pair density, and the molecular energy, in such a way that meaningful concepts can be associated with the density and energy fragments thus formed. The origin of chemical binding is interpreted in terms of the concepts formulated in the partitioning process. (T.F.H.)
768 citations
TL;DR: A review of photo-association spectroscopy at ultracold temperatures can be found in this article, where a sampling of results including the determination of scattering lengths, their control via optical Feshbach resonances, precision determinations of atomic lifetimes from molecular spectra, limits on photoassociation rates in a Bose-Einstein condensate, and briefly, production of cold molecules.
Abstract: Photoassociation is the process in which two colliding atoms absorb a photon to form an excited molecule. The development of laser-cooling techniques for producing gases at ultracold !!1 mK" temperatures allows photoassociation spectroscopy to be performed with very high spectral resolution. Of particular interest is the investigation of molecular states whose properties can be related, with high precision, to the properties of their constituent atoms with the “complications” of chemical binding accounted for by a few parameters. These include bound long-range or purely long-range vibrational states in which two atoms spend most or all of their time at large internuclear separations. Low-energy atomic scattering states also share this characteristic. Photoassociation techniques have made important contributions to the study of all of these. This review describes what is special about photoassociation spectroscopy at ultracold temperatures, how it is performed, and a sampling of results including the determination of scattering lengths, their control via optical Feshbach resonances, precision determinations of atomic lifetimes from molecular spectra, limits on photoassociation rates in a Bose-Einstein condensate, and briefly, production of cold molecules. Discussions are illustrated with examples on alkali-metal atoms as well as other species. Progress in the field is already past the point where this review can be exhaustive, but an introduction is provided on the capabilities of photoassociation spectroscopy and the techniques presently in use.
717 citations
TL;DR: The role of microorganisms and other forms of soil biota in bound residue formation and the bioavailability of soil-borne pesticide residues are considered and the possible physical and chemical binding mechanisms are discussed.
642 citations
TL;DR: A sterically stabilized aqueous suspension of rod-like cellulose microcrystals was prepared by the combination of acid hydrolysis of native cellulose, oxidative carboxylation of micro-crystals, and grafting of poly(ethylene glycol) having a terminal amino group on one end (PEG-NH2, MW = 1000) using water-soluble carbodiimide as discussed by the authors.
Abstract: A sterically stabilized aqueous suspension of rodlike cellulose microcrystals was prepared by the combination of acid hydrolysis of native cellulose, oxidative carboxylation of microcrystals, and grafting of poly(ethylene glycol) having a terminal amino group on one end (PEG-NH2, MW = 1000) using water-soluble carbodiimide. Chemical binding of PEG to the microcrystals was confirmed by weight increase, diminishment of carboxyl groups, thermogravimetry, and infrared spectroscopy, resulting in consumption of 20−30% of the initially introduced carboxyl groups. The amount of bound PEG was 0.2−0.3 g/g of cellulose. The PEG-grafted cellulose microcrystals showed drastically enhanced dispersion stability, that is, resistance to addition of 2 M sodium chloride, and ability to redisperse into either water or chloroform from the freeze-dried state. The concentrated aqueous suspension of PEG-grafted microcrystals formed a chiral nematic mesophase through a phase separation similar to that of the ungrafted sample, but...
639 citations
TL;DR: This study discovered that conductive Magnéli phase Ti4O7 is highly effective matrix to bind with sulfur species and demonstrates the importance of surface coordination environment for strongly influencing the S-species binding.
Abstract: Lithium–sulfur batteries show fascinating potential for advanced energy storage systems due to their high specific capacity, low-cost, and environmental benignity. However, the shuttle effect and the uncontrollable deposition of lithium sulfide species result in poor cycling performance and low Coulombic efficiency. Despite the recent success in trapping soluble polysulfides via porous matrix and chemical binding, the important mechanism of such controllable deposition of sulfur species has not been well understood. Herein, we discovered that conductive Magneli phase Ti4O7 is highly effective matrix to bind with sulfur species. Compared with the TiO2–S, the Ti4O7–S cathodes exhibit higher reversible capacity and improved cycling performance. It delivers high specific capacities at various C-rates (1342, 1044, and 623 mAh g–1 at 0.02, 0.1, and 0.5 C, respectively) and remarkable capacity retention of 99% (100 cycles at 0.1 C). The superior properties of Ti4O7–S are attributed to the strong adsorption of su...
619 citations