Studies of implanted muons in organic radicals
We have performed semi-empirical molecular dynamics calculations of the electronic and molecular structure of muonium (=μ+e-) incorporated into the organic radicals 3-quinolyl nitronyl nitroxide (3-QNNN), para-pyridyl nitronyl nitroxide (p-PYNN), phenyl nitronyl nitroxide (PNN) and para-nitrophenyl...
| Main Authors: | , , , |
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| Format: | Journal article |
| Language: | English |
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1998
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| _version_ | 1797075765312880640 |
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| author | Valladares, R Fisher, A Blundell, S Hayes, W |
| author_facet | Valladares, R Fisher, A Blundell, S Hayes, W |
| author_sort | Valladares, R |
| collection | OXFORD |
| description | We have performed semi-empirical molecular dynamics calculations of the electronic and molecular structure of muonium (=μ+e-) incorporated into the organic radicals 3-quinolyl nitronyl nitroxide (3-QNNN), para-pyridyl nitronyl nitroxide (p-PYNN), phenyl nitronyl nitroxide (PNN) and para-nitrophenyl nitronyl nitroxide (p-NPNN). These materials are of interest because they show ferromagnetic order at very low temperatures and can be effectively studied using implanted positive muons. Our calculations give evidence for a wide variety of possible muonium binding sites in the conjugated ring systems of the materials as well as in the nitronyl nitroxide group and suggest the formation of local spin triplet as well as singlet states near the muon, a result which is supported by recent experiments. |
| first_indexed | 2024-03-06T23:54:50Z |
| format | Journal article |
| id | oxford-uuid:73da82fd-be87-4b52-bfe7-47e16cb38f19 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-06T23:54:50Z |
| publishDate | 1998 |
| record_format | dspace |
| spelling | oxford-uuid:73da82fd-be87-4b52-bfe7-47e16cb38f192022-03-26T19:59:03ZStudies of implanted muons in organic radicalsJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:73da82fd-be87-4b52-bfe7-47e16cb38f19EnglishSymplectic Elements at Oxford1998Valladares, RFisher, ABlundell, SHayes, WWe have performed semi-empirical molecular dynamics calculations of the electronic and molecular structure of muonium (=μ+e-) incorporated into the organic radicals 3-quinolyl nitronyl nitroxide (3-QNNN), para-pyridyl nitronyl nitroxide (p-PYNN), phenyl nitronyl nitroxide (PNN) and para-nitrophenyl nitronyl nitroxide (p-NPNN). These materials are of interest because they show ferromagnetic order at very low temperatures and can be effectively studied using implanted positive muons. Our calculations give evidence for a wide variety of possible muonium binding sites in the conjugated ring systems of the materials as well as in the nitronyl nitroxide group and suggest the formation of local spin triplet as well as singlet states near the muon, a result which is supported by recent experiments. |
| spellingShingle | Valladares, R Fisher, A Blundell, S Hayes, W Studies of implanted muons in organic radicals |
| title | Studies of implanted muons in organic radicals |
| title_full | Studies of implanted muons in organic radicals |
| title_fullStr | Studies of implanted muons in organic radicals |
| title_full_unstemmed | Studies of implanted muons in organic radicals |
| title_short | Studies of implanted muons in organic radicals |
| title_sort | studies of implanted muons in organic radicals |
| work_keys_str_mv | AT valladaresr studiesofimplantedmuonsinorganicradicals AT fishera studiesofimplantedmuonsinorganicradicals AT blundells studiesofimplantedmuonsinorganicradicals AT hayesw studiesofimplantedmuonsinorganicradicals |