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In this section, the synthesis of saturated N- and O-heterocycles via formal cycloaddition is presented. The main focus is on metal-catalyzed reactions involving C–C or C–X σ bond cleavage in three- or four-membered rings. After a fast presentation of pion ...
Abstract: Activated cyclopropanes, such as vinyl and carbonyl cyclopropanes, are useful building blocks in organic chemistry due to their exceptional reactivity. This review focuses on the use of cyclopropyl carbonyls and imines in cyclization and cycloadd ...
One of the major challenges faced by organic chemistry is the efficient synthesis of increasingly complex molecules. Since October 2007, the Laboratory of Catalysis and Organic Synthesis (LCSO) at EPFL has been working on the development of catalytic react ...
The bcc alloy V40(TiCr)51Fe8Mn shows a high reversible hydrogen capacity of 2.22 mass% at room temperature and is therefore expected to be applied as a hydrogen storage material. During the first 10 hydrogenation/dehydrogenation cycles, the capacity decrea ...
Bond separation reactions of highly branched alkanes are used to assess (de)stabilizing interactions associated with various 1,3-nonbonded substituent patterns. While n- and singly methylated alkanes show positive bond separation energies (BSEs), which inc ...
The ring strain energies of carbomeric-cycloalkanes (molecules with one or more acetylene spacer units placed into carbon single bonds) are assessed using a series of isodesmic, homodesmotic, and hyperhomodesmotic chemical equations. Isodesmic bond separat ...
The interaction of two ruthenium-arene-1,3,5-triaza-7-phosphaadamantane compds. ([Ru(η6-p-cymene)Cl2(pta)] and [Ru(η6-p-cymene)(C6H6O4)(pta)], termed RAPTA-C (3) and carboRAPTA-C (4), resp.) with the DNA sequence of the human breast-cancer suppressor gene ...
A new catalytic procedure for atom-transfer radical addition (ATRA) and cyclization (ATRC) reactions is described. The combination of the ruthenium(III) complex [RuCl2Cp*(PPh3)] with magnesium allows these reactions to be performed under mild conditions wi ...
DNA photolyase is a highly efficient light-driven enzyme that repairs the UV-induced cyclobutane pyrimidine dimer in damaged DNA. Herein, we investigate the repair reaction of the thymine dimer by means of hybrid quantum mechanical/molecular mechanical QM/ ...
Despite the widespread use and numerous successful applications of density functional theory, descriptions of hydrocarbon reaction energies remain problematic. Illustrative examples include large underestimation of energies associated with alkane bond sepa ...
