Quantum-Chemical Study of Hydrogen-Bonded Complexes : Understanding Solvent Shifts in the IR Spectra of Alcohols
| dc.contributor.advisor | Phillips, James A. | |
| dc.contributor.author | Phillips, Margaret D. | |
| dc.date.accessioned | 2016-03-25T20:32:49Z | |
| dc.date.available | 2016-03-25T20:32:49Z | |
| dc.date.issued | 2015-04 | |
| dc.description | Color poster with text and images. | en |
| dc.description.abstract | Initially, we were interested in whether the hydrogen bonding in HF (l) or in H2O (l) is stronger. Therefore, we examined a series of binary complexes involving HF & H2O: (H2O)2, (HF)2, and three isomers of H2O/HF. We calculated the interaction energy (Delta E), elongation of the donor bond (Delta RHA), and the extent of electron transfer between the components of the complex. | en |
| dc.description.sponsorship | National Science Foundation; ACS-PRF; MERCURY (NSF); University of Wisconsin--Eau Claire Office of Research and Sponsored Programs | en |
| dc.identifier.uri | http://digital.library.wisc.edu/1793/74508 | |
| dc.language.iso | en_US | en |
| dc.relation.ispartofseries | USGZE AS589 | en |
| dc.subject | Solvent shifts | en |
| dc.subject | Hydrogen-bonded complexes | en |
| dc.subject | Chemistry | en |
| dc.subject | Alcohols | en |
| dc.subject | Hydrogen bonding | en |
| dc.subject | Posters | en |
| dc.title | Quantum-Chemical Study of Hydrogen-Bonded Complexes : Understanding Solvent Shifts in the IR Spectra of Alcohols | en |
| dc.type | Presentation | en |