Synthesis and Trapping of Transient 1, 2-Diselones To Yield 1, 4-Diselenin Derivatives: Calculated Structures of 1, 2-Diselones, 1, 2-Diselenetes and Their Sulfur Analogues

Chesney, Antony; Yoshida, Shimon; Perepichka, Igor F.

doi:10.1002/(sici)1521-3765(20000403)6:7<1153::aid-chem1153>3.0.co;2-n

Cited by 3 publications

References 30 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Theoretical Aspects of Organoselenium Chemistry

Sunoj

2011

Patai's Chemistry of Functional Groups

View full text Add to dashboard Cite

The chapter offers an overview of the applications of theoretical methods in the area of organoselenium chemistry. In recent years, the availability of reliable basis sets and computational methods, especially the emergence of density functional methods, have enabled studies on increasingly complex chemical problems. A plethora of such problems in organoselenium chemistry and interesting insights on structure, properties, and reactions derived by using computational methods constitute the contents of this chapter. The types of situations described range from exotic briefly lived intermediates to structural and electronic features of stable and crystalline molecules. Properties such as nuclear magnetic resonance chemical shift and the comparison between computed and experimental quantities have been provided extensively. A number of reactions of selenium compounds with emphasis on biologically significant reactions have been highlighted. In particular, computational studies on glutathione peroxidate activity of selenium compounds have been elaborated. The electronic origins of inter‐ and intra‐molecular nonbonding interactions in organoselenium compounds and an illustration of how theoretical methods have been vital in quantifying such weak interactions have been provided.

show abstract