Saturated and unsaturated compounds

Summary

A saturated compound is a chemical compound (or ion) that resists addition reactions, such as hydrogenation, oxidative addition, and binding of a Lewis base. The term is used in many contexts and for many classes of chemical compounds. Overall, saturated compounds are less reactive than unsaturated compounds. Saturation is derived from the Latin word saturare, meaning 'to fill'. Unsaturated compounds generally carry out typical addition reactions that are not possible with saturated compounds such as alkanes. A saturated organic compound has only single bonds between carbon atoms. An important class of saturated compounds are the alkanes. Many saturated compounds have functional groups, e.g., alcohols. The concept of saturation can be described using various naming systems, formulas, and analytical tests. For instance, IUPAC nomenclature is a system of naming conventions used to describe the type and location of unsaturation within organic compounds. The "degree of unsaturation" is a formula used to summarize and diagram the amount of hydrogen that a compound can bind. Unsaturation can be determined by NMR, mass spectrometry and IR spectroscopy, or by determining a compound's bromine number or iodine number. Unsaturated fat The terms saturated vs unsaturated are often applied to the fatty acid constituents of fats. The triglycerides (fats) that comprise tallow are derived from the saturated stearic and monounsaturated oleic acids. Many vegetable oils contain fatty acids with one (monounsaturated) or more (polyunsaturated) double bonds in them. In organometallic chemistry, a coordinatively unsaturated complex has fewer than 18 valence electrons and thus is susceptible to oxidative addition or coordination of an additional ligand. Unsaturation is characteristic of many catalysts. The opposite of coordinatively unsaturated is coordinatively saturated. Complexes that are coordinatively saturated rarely exhibit catalytic properties. In physical chemistry, when referring to surface processes, saturation denotes the degree at which a binding site is fully occupied.

Official source

https://en.wikipedia.org/wiki/Saturated_and_unsaturated_compounds

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Multilevel screening of computation-ready, experimental metal-organic frameworks for natural gas purification

Yi Zhang, Berend Smit, Zhi Li

In this study, traditional Monte Carlo simulation and density functional theory-based structural optimization methods were combined to screen computation-ready experimental metal-organic framework (MOF) database for the application of natural gas purification. Our results show that about half of the good performing computation-ready experimental MOF structures displayed various degrees of deformation (even collapse) after the structure optimization. This phenomenon attributed to the strong attraction of unsaturated metals which attract nearby organic components. For some materials with deformation, unsaturated metals form new bonds with the adjacent organic linkers creating distortions that would be unrealistic in the experimental materials. For the remaining relatively stable materials whose structural characteristics did not change too much, we further studied the adsorption performance of their optimized structures. Finally, 12 good-performing MOF materials with high stability were found which could greatly improve the possibility for constructing robust MOFs that could hold open metal sites by experiments.

WILEY2021

Investigations of ruthenium halfsandwich complexes have mostly focused on Cp and Cp* based derivatives due to the availability of easily accessible starting materials. However, it is interesting to have complexes with substituted cyclopentadienyl ligands in order to study the influence of the π-ligand on the chemical behavior of the complexes, as well as to fine-tune their properties. During the course of this thesis, ruthenium complexes with novel, highly substituted cyclopentadienyl ligands ('Cp^') were prepared in one-pot syntheses from commercially available starting materials and under mild reaction conditions. The complexes are versatile starting materials leading to a variety of Cp^Ru complexes through facile ligand exchange reactions. The chemistry of Cp^Ru-complexes has been investigated and the general reactivity pattern was found to be similar to that of CpRu and Cp*Ru complexes. However, in several instances it was observed that the steric and electronic properties of the Cp^ ligand have a strong impact on the properties and chemical behavior of the complexes. As a consequence of the sterically demanding Cp^ ligand, coordinatively unsaturated complexes, that are otherwise inaccessible, have been stabilized. In addition, the presence of the Cp^ ligand resulted in unusual CO insertion reactions and in an unprecedented rearrangement of cyclooctadiene. Some Cp^Ru-complexes turned out to be very efficient catalysts for organic transformations such as the [2+2+2] alkyne cyclotrimerization and atom transfer radical cyclizations. Activation of molecular oxygen was also accomplished with Cp^Ru complexes. In vitro studies with Cp^Ru complexes have shown that they exhibit high cytotoxicity towards human cancer cell lines.

EPFL2010