Electron paramagnetic resonance study of copper halide tetrazole complexes and the free radicals in irradiated strontium acetate hemihydrate
| dc.contributor.advisor | Tolles, William M. | |
| dc.contributor.author | Gisch, Robert Gary | |
| dc.contributor.corporate | Naval Postgraduate School (U.S.) | |
| dc.contributor.department | Chemistry | |
| dc.date | June 1969 | |
| dc.date.accessioned | 2012-08-29T23:31:02Z | |
| dc.date.available | 2012-08-29T23:31:02Z | |
| dc.date.issued | 1969-06 | |
| dc.description.abstract | An EPR study of copper halide tetrazole complexes and x-irradiated strontium acetate hemihydrate has been made. The powder spectra of some of the tetrazole complexes exhibited temperature dependent narrowing and broadening. The one-electron population of the copper d orbital involved in bonding to 2-methy l-5-amino tetrazole has been found to be 0.56 and 0.47, respectively for the chloride and bromide complexes. The g value for these two complexes are consistent with the proposed planar polymeric structure for 2-substituted tetrazole- copper complexes. The species present in single crystals of strontium acetate hemihydrate irradiated and observed at liquid nitrogen temperature to -100 C has a spectrum of four lines of 1:3:3:1 intensity ratio and aCH3 = 11.0 gauss. Temperature dependent exchange behavior of the spectrum for this species is observed and attributed to a rotating methyl group which was found to have 6H# = 3.0 + 0.3 kca l and 6S# = 6.0 + 0.3 cal/mole deg for internal rotation. The species present at room temperature has an eight line spectrum consisting of two 1:3:3:1 intensity ratio patterns with a CH3 = 25.2 and aH - 21.3 gauss. Molecular orbital calculations using the CNDO approximation were performed and possible fragments responsible for these spectra are suggested. 25.2 and a = 2 1 . 3 gaus s . Molecular orbital calculations using the CNDO An EPR study of copper halide tetrazole complexes and x- irrad iated strontium acetate hemihydrate has been made. The powder spectra of some of the tetrazole complexes exhibited temperature dependent narrowing and broadening. The one-elec tron populat ion of the copper d orbital involved in bonding to 2-methy l-5-amino tetrazole has been found to be 0.56 and 0.47, respec tively for the chloride and bromide complexes. The g value for these two complexes are consistent with the proposed planar poly- meric structure for 2-substituted tetrazole- copper complexes. The species present in single crystals of strontium acetate hemihydrate ir- 0 radiated and observed at liquid nitrogen temperature to -100 C has a spectrum of four lines of 1:3:3:1 intensity ratio and aCH3 = 11.0 gauss. Temperature dependent exchange behavior of the spectrum for this species is observed and attributed to a rotating methyl group which was found to have 6H# = 3.0 + 0.3 kca l and 6S# = 6.0 + 0.3 cal/mole deg for internal - mole rotation. The species present at room temperature has an eight line spectrum consisting of two 1:3:3:1 intensity ratio patterns with aCH3 = H 25.2 and a = 2 1 . 3 gaus s . Molecular orbital calculations using the CNDO | |
| dc.description.distributionstatement | Approved for public release; distribution is unlimited. | |
| dc.description.service | Lieutenant (Junior Grade), United States Navy | |
| dc.description.uri | http://archive.org/details/electronparamagn1094512095 | |
| dc.identifier.uri | https://hdl.handle.net/10945/12095 | |
| dc.language.iso | en_US | |
| dc.publisher | Monterey, California. U.S. Naval Postgraduate School | en_US |
| dc.rights | This publication is a work of the U.S. Government as defined in Title 17, United States Code, Section 101. Copyright protection is not available for this work in the United States. | |
| dc.subject.author | Strontium acetate hemihydrate | en_US |
| dc.subject.author | Electron paramagnetic resonance | en_US |
| dc.subject.author | Tetrazoles | en_US |
| dc.subject.author | Copper halide | en_US |
| dc.subject.author | Radiation damage | en_US |
| dc.subject.lcsh | Chemistry | en_US |
| dc.title | Electron paramagnetic resonance study of copper halide tetrazole complexes and the free radicals in irradiated strontium acetate hemihydrate | en_US |
| dc.type | Thesis | en_US |
| dspace.entity.type | Publication | |
| etd.thesisdegree.discipline | Chemistry | en_US |
| etd.thesisdegree.grantor | Naval Postgraduate School | en_US |
| etd.thesisdegree.level | Masters | en_US |
| etd.thesisdegree.name | M.S. in Chemistry | en_US |