Open Access. Powered by Scholars. Published by Universities.®
Physical Sciences and Mathematics Commons™
Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 2 of 2
Full-Text Articles in Physical Sciences and Mathematics
Theoretical And Spectroscopic Analysis Of Ch...Π Interactions Of Fluorinated Aromatic Systems, Anuradha Gayathri Akmeemana
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 …
Computational And Experimental Studies Of Non-Covalent Interactions: Characterization Of Ch...Π Interactions And Structure Of 1,1-Difluoroethylene...Carbon Dioxide, Ashley M. Anderton
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 …