Publication:
Electron paramagnetic resonance study of copper halide tetrazole complexes and the free radicals in irradiated strontium acetate hemihydrate

dc.contributor.advisorTolles, William M.
dc.contributor.authorGisch, Robert Gary
dc.contributor.corporateNaval Postgraduate School (U.S.)
dc.contributor.departmentChemistry
dc.dateJune 1969
dc.date.accessioned2012-08-29T23:31:02Z
dc.date.available2012-08-29T23:31:02Z
dc.date.issued1969-06
dc.description.abstractAn 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.distributionstatementApproved for public release; distribution is unlimited.
dc.description.serviceLieutenant (Junior Grade), United States Navy
dc.description.urihttp://archive.org/details/electronparamagn1094512095
dc.identifier.urihttps://hdl.handle.net/10945/12095
dc.language.isoen_US
dc.publisherMonterey, California. U.S. Naval Postgraduate Schoolen_US
dc.rightsThis 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.authorStrontium acetate hemihydrateen_US
dc.subject.authorElectron paramagnetic resonanceen_US
dc.subject.authorTetrazolesen_US
dc.subject.authorCopper halideen_US
dc.subject.authorRadiation damageen_US
dc.subject.lcshChemistryen_US
dc.titleElectron paramagnetic resonance study of copper halide tetrazole complexes and the free radicals in irradiated strontium acetate hemihydrateen_US
dc.typeThesisen_US
dspace.entity.typePublication
etd.thesisdegree.disciplineChemistryen_US
etd.thesisdegree.grantorNaval Postgraduate Schoolen_US
etd.thesisdegree.levelMastersen_US
etd.thesisdegree.nameM.S. in Chemistryen_US
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