Search results for "main group chemistry"

Synthesis, characterization, and reactivity of heavier group 13 and 14 metallylenes and metalloid clusters : small molecule activation and more

2015

Theoretical and experimental studies of some main group compounds : from closed shell interactions to singlet diradicals and stable radicals

2012

Acquiring knowledge of different interactions within and between molecules is a fascinating undertaking as it not only deepens our understanding of chemical bonding but also offers insight into electronic structures, molecular properties and the connections between these two. This dissertation combines together three main group chemistry related topics within the aforementioned theme. Research presented in the first third of this dissertation describes wave function and density functional theory studies of weak inter- and intramolecular interactions in pnictogen-based dimers X3Pn···PnX3 (Pn = N-Bi; X = F-I), dithallenes RTlTlR (R = H, Me, tBu, Ph) and octachalcogen dications Ch82+ (Ch = S, …

Experimental and computational studies of unconventional main group compounds : stable radicals and reactive intermediates

2017

Ever since their discovery, radicals have intrigued the minds of experimental and theoretical chemists alike. While the vast majority of radicals are transient species, a large number of stable and persistent radicals are also known. This has enabled the use of radicals in different applications. For example, radicals are highly useful in chemical synthesis due to their selectivity and functional group tolerance. Detailed knowledge of the electronic structure of synthetic intermediates, both radical and non-radical, enables chemists to improve existing synthesis routes and to design completely new ones. This thesis is divided into two parts. The first part begins with an introduction to the…