Physical Sciences and Mathematics Commons^™

Synthesis And Characterization Of Molecular Components For The Preparation Of Poly-Rotaxanes, Austin P. Welti

Masters Theses

The self-sorting ability of certain crown ethers make them important players in the field of supramolecular chemistry, especially those studying mechanically interlocked molecules (MIMs). Of these MIMs, rotaxanes and catenanes are the most common. Our approach in the synthesis of poly-rotaxane systems involves the preparation of axles containing multiple recognition motifs to determine the self-sorting principles that each motif shows. These principles include narcissistic self-sorting, and also type I and type II social self-sorting principles. Using these techniques, poly-rotaxane formation can be made readily available.

A hetero-poly-rotaxane equipped with a naphthalene diimide (NDI) site and two ammonium salt sites has …

Theoretical And Spectroscopic Analysis Of Ch...Π Interactions Of Fluorinated Aromatic Systems, Anuradha Gayathri Akmeemana

Masters Theses

CH...π interactions are non-covalent interactions which occur in organic compounds that are important in biological and chemical sciences in many ways. Microwave spectroscopy is an important technique that can be used to detect CH...π interactions in the gas phase molecules. Previously microwave spectroscopic studies of complexes containing CH...π interactions, benzene...HCCH (Ulrich, N.W.; Seifert, N.A.; Dorris, R.E.; Peebles, R.A.; Pate, B.H.; Peebles, S.A., Phys. Chem. Chem. Phys. 2014, 16, 8886-8894) and fluorobenzene...HCCH (Ulrich, N.W.; Songer, T.S.; Peebles, R.A.; Peebles, S.A.; Seifert, N.A.; Perez, C.; Pate, B.H. Phys. Chem. Chem. Phys., 2013, 15, 18148-18154) were done at Eastern Illinois University and the …

Investigations Towards Synthesis Of Cinnamaldehyde Semicarbazone Derivatives And Their Photochromicity By Modifying The Ring, The Linker, And The Semicarbazone, Xiao Xiao

Masters Theses

Cinnamaldehyde semicarbazone was varied in three ways, by altering the ring, the conjugated linker, and the semicarbazone, to investigate how changing the structure affects the photochomicity. The synthesis of 7 hetero- and 2 polycyclic- aromatic semicarbazone variants involved three steps, (a Wittig reaction, hydrolysis, and condensation to the semicarbazone) with cumulative yields of 15% to 52%. Generally, the pyridine series gave lower yields than other synthesized semicarbazones. The Wittig reaction gave cis/trans mixtures in ratios of 2 : 1 to 1 : 7 for the 6 acetals, except for the 3 that went directly to the aldehyde, due to the …

Computational And Experimental Studies Of Non-Covalent Interactions: Characterization Of Ch...Π Interactions And Structure Of 1,1-Difluoroethylene...Carbon Dioxide, Ashley M. Anderton

Masters Theses

Weakly bound CH/π interactions, due to the abundance of C-H bonds and π systems that exist in larger organic molecules, are an important driving force in the construction of biomacromolecules, supramolecular assemblies and crystal packing of organic compounds. To assist in the characterization of CH/π interactions, a density functional theory (DFT) study has been conducted to determine a quick and cheap method for accurate determination of the binding energy and rotational constants for CH/π interactions. Seven complexes were used in this study: five benzene-HY complexes (where Y= C≡CH, Cl, F, Br and C≡N) and two fluorobenzene-HY complexes (where Y= C≡CH …