Date of Award:
5-2016
Document Type:
Dissertation
Degree Name:
Doctor of Philosophy (PhD)
Department:
Chemistry and Biochemistry
Committee Chair(s)
Steve Scheiner
Committee
Steve Scheiner
Committee
Yujie Sun
Committee
Alexander I. Boldyrev
Committee
T. -C. Shen
Committee
David Farrelly
Abstract
Like cement bridges one brick to another, noncovalent forces also bridge two or more molecules together to form a molecular crystal or molecular cluster. Although weaker than the covalent bond, the existence of noncovalent forces can be seen everywhere from liquid water to construction of complex biomolecules like DNA, RNA, proteins etc. An introduction of suitable charge; positive or negative, on the binding units can increase the strength of noncovalent interaction by several orders of magnitude. The primary aim of this dissertation is to explore some fundamental properties of such charge assisted noncovalent interactions which will be helpful for the rational design of molecular crystals, drugs, catalysts and many more. Besides that, this dissertation also makes parallel study between H-bond and halogen bonds and contradicts the long time notion that the H-bond is the strongest noncovalent interaction.
Checksum
7299f6ffca1f603175bf11ddeb82fb59
Recommended Citation
Nepal, Binod, "Quantum Mechanical Studies of Charge Assisted Hydrogen and Halogen Bonds" (2016). All Graduate Theses and Dissertations, Spring 1920 to Summer 2023. 5027.
https://digitalcommons.usu.edu/etd/5027
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