Nature of the chlorine-centred paramagnetic species in irradiated crystals of cytosine hydrochloride doped with thiocytosine
It has been demonstrated that the paramagnetic species formed in crystals of cytosine hydrochloride doped with thiocytosine are most likely the radicals formed by association of thiocytosine and chlorine. The unpaired electron is positively identified on the C1 atom and on at least one of the pyrimi...
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| Veröffentlicht in: | International journal of radiation biology 1996, Vol.70 (5), p.603-608 |
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| container_end_page | 608 |
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| container_issue | 5 |
| container_start_page | 603 |
| container_title | International journal of radiation biology |
| container_volume | 70 |
| creator | SANKOVIC, D. KRILOV, T. PRANJIC-PETROVIC, J. HUTTERMANN and J. N. HERAK, K. |
| description | It has been demonstrated that the paramagnetic species formed in crystals of cytosine hydrochloride doped with thiocytosine are most likely the radicals formed by association of thiocytosine and chlorine. The unpaired electron is positively identified on the C1 atom and on at least one of the pyrimidine atoms, and the data are consistent with the formation of the 'three-electron' S-Cl sigmasigma bonds. The spin density derived from the measured 35Cl and 14N coupling tensors compare reasonably well with the MO calculations for the 'in-plane' conformations of three hypothetical radicals formed by initial ionization of either thiocytosine or Cl followed by their reaction. Two distinct and related centres, A and B, probably represent two different conformations of chemically the same radical in the crystal lattice of cytosine HC1. |
| doi_str_mv | 10.1080/095530096144815 |
| format | Article |
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KRILOV, T. PRANJIC-PETROVIC, J. HUTTERMANN and J. N. HERAK, K.</creator><creatorcontrib>SANKOVIC, D. KRILOV, T. PRANJIC-PETROVIC, J. HUTTERMANN and J. N. HERAK, K.</creatorcontrib><description>It has been demonstrated that the paramagnetic species formed in crystals of cytosine hydrochloride doped with thiocytosine are most likely the radicals formed by association of thiocytosine and chlorine. The unpaired electron is positively identified on the C1 atom and on at least one of the pyrimidine atoms, and the data are consistent with the formation of the 'three-electron' S-Cl sigmasigma bonds. The spin density derived from the measured 35Cl and 14N coupling tensors compare reasonably well with the MO calculations for the 'in-plane' conformations of three hypothetical radicals formed by initial ionization of either thiocytosine or Cl followed by their reaction. Two distinct and related centres, A and B, probably represent two different conformations of chemically the same radical in the crystal lattice of cytosine HC1.</description><identifier>ISSN: 0955-3002</identifier><identifier>EISSN: 1362-3095</identifier><identifier>DOI: 10.1080/095530096144815</identifier><identifier>PMID: 8947542</identifier><language>eng</language><publisher>London: Informa UK Ltd</publisher><subject>Biological and medical sciences ; Cell physiology ; Chlorine - chemistry ; Crystallization ; Cytosine - analogs & derivatives ; Cytosine - chemistry ; Cytosine - radiation effects ; Effects of physical and chemical agents ; Fundamental and applied biological sciences. Psychology ; Magnetics ; Molecular and cellular biology ; Sulfhydryl Compounds</subject><ispartof>International journal of radiation biology, 1996, Vol.70 (5), p.603-608</ispartof><rights>1996 Informa UK Ltd All rights reserved: reproduction in whole or part not permitted 1996</rights><rights>1997 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c422t-59ebc4d91e7cff0233c5f37c738c58c7a30895142792fa40d3f7f1782300f4a73</citedby><cites>FETCH-LOGICAL-c422t-59ebc4d91e7cff0233c5f37c738c58c7a30895142792fa40d3f7f1782300f4a73</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://www.tandfonline.com/doi/pdf/10.1080/095530096144815$$EPDF$$P50$$Ginformaworld$$H</linktopdf><linktohtml>$$Uhttps://www.tandfonline.com/doi/full/10.1080/095530096144815$$EHTML$$P50$$Ginformaworld$$H</linktohtml><link.rule.ids>314,780,784,4024,27923,27924,27925,59647,59753,60436,60542,61221,61256,61402,61437</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=2490329$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/8947542$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>SANKOVIC, D. KRILOV, T. PRANJIC-PETROVIC, J. HUTTERMANN and J. N. HERAK, K.</creatorcontrib><title>Nature of the chlorine-centred paramagnetic species in irradiated crystals of cytosine hydrochloride doped with thiocytosine</title><title>International journal of radiation biology</title><addtitle>Int J Radiat Biol</addtitle><description>It has been demonstrated that the paramagnetic species formed in crystals of cytosine hydrochloride doped with thiocytosine are most likely the radicals formed by association of thiocytosine and chlorine. The unpaired electron is positively identified on the C1 atom and on at least one of the pyrimidine atoms, and the data are consistent with the formation of the 'three-electron' S-Cl sigmasigma bonds. The spin density derived from the measured 35Cl and 14N coupling tensors compare reasonably well with the MO calculations for the 'in-plane' conformations of three hypothetical radicals formed by initial ionization of either thiocytosine or Cl followed by their reaction. Two distinct and related centres, A and B, probably represent two different conformations of chemically the same radical in the crystal lattice of cytosine HC1.</description><subject>Biological and medical sciences</subject><subject>Cell physiology</subject><subject>Chlorine - chemistry</subject><subject>Crystallization</subject><subject>Cytosine - analogs & derivatives</subject><subject>Cytosine - chemistry</subject><subject>Cytosine - radiation effects</subject><subject>Effects of physical and chemical agents</subject><subject>Fundamental and applied biological sciences. Psychology</subject><subject>Magnetics</subject><subject>Molecular and cellular biology</subject><subject>Sulfhydryl Compounds</subject><issn>0955-3002</issn><issn>1362-3095</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1996</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNp1kM1LHTEUxUOp2FfbtSshi26n5mvMxJ2I2sKjbnQ9XG-STmTeZEjykIH-8c3jPYUWXOWS8zsnN4eQU86-c9axc2baVjJmLrhSHW8_kBWXF6KR9f4jWe3UOjPxiXzO-ZnVicnumBx3RulWiRX58wvKNjkaPS2DoziMMYXJNeimkpylMyTYwO_JlYA0zw6DyzRMNKQENkCpCKYlFxjzLgOXEnP102GxKe7TrKM2zhV8CWWor4T4Sn0hR74a3dfDeUIeb28ern806_u7n9dX6waVEKVpjXtCZQ13Gr1nQkpsvdSoZYdthxok60zLldBGeFDMSq89152oP_cKtDwh5_tcTDHn5Hw_p7CBtPSc9bsa-_9qrI6zvWPePm2cfeMPvVX920GHjDD6BBOG_IYJZZgUpmKXeyxMPqYNvMQ02r7AUnt59cj3dzD_mAcHYxkQkuuf4zZNtbF39_8LoMagyQ</recordid><startdate>1996</startdate><enddate>1996</enddate><creator>SANKOVIC, D. KRILOV, T. PRANJIC-PETROVIC, J. HUTTERMANN and J. N. 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HERAK, K.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c422t-59ebc4d91e7cff0233c5f37c738c58c7a30895142792fa40d3f7f1782300f4a73</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1996</creationdate><topic>Biological and medical sciences</topic><topic>Cell physiology</topic><topic>Chlorine - chemistry</topic><topic>Crystallization</topic><topic>Cytosine - analogs & derivatives</topic><topic>Cytosine - chemistry</topic><topic>Cytosine - radiation effects</topic><topic>Effects of physical and chemical agents</topic><topic>Fundamental and applied biological sciences. Psychology</topic><topic>Magnetics</topic><topic>Molecular and cellular biology</topic><topic>Sulfhydryl Compounds</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>SANKOVIC, D. KRILOV, T. PRANJIC-PETROVIC, J. HUTTERMANN and J. N. HERAK, K.</creatorcontrib><collection>Pascal-Francis</collection><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><jtitle>International journal of radiation biology</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>SANKOVIC, D. KRILOV, T. PRANJIC-PETROVIC, J. HUTTERMANN and J. N. HERAK, K.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Nature of the chlorine-centred paramagnetic species in irradiated crystals of cytosine hydrochloride doped with thiocytosine</atitle><jtitle>International journal of radiation biology</jtitle><addtitle>Int J Radiat Biol</addtitle><date>1996</date><risdate>1996</risdate><volume>70</volume><issue>5</issue><spage>603</spage><epage>608</epage><pages>603-608</pages><issn>0955-3002</issn><eissn>1362-3095</eissn><abstract>It has been demonstrated that the paramagnetic species formed in crystals of cytosine hydrochloride doped with thiocytosine are most likely the radicals formed by association of thiocytosine and chlorine. The unpaired electron is positively identified on the C1 atom and on at least one of the pyrimidine atoms, and the data are consistent with the formation of the 'three-electron' S-Cl sigmasigma bonds. The spin density derived from the measured 35Cl and 14N coupling tensors compare reasonably well with the MO calculations for the 'in-plane' conformations of three hypothetical radicals formed by initial ionization of either thiocytosine or Cl followed by their reaction. Two distinct and related centres, A and B, probably represent two different conformations of chemically the same radical in the crystal lattice of cytosine HC1.</abstract><cop>London</cop><pub>Informa UK Ltd</pub><pmid>8947542</pmid><doi>10.1080/095530096144815</doi><tpages>6</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0955-3002 |
| ispartof | International journal of radiation biology, 1996, Vol.70 (5), p.603-608 |
| issn | 0955-3002 1362-3095 |
| language | eng |
| recordid | cdi_pubmed_primary_8947542 |
| source | MEDLINE; Taylor & Francis Medical Library - CRKN; Taylor & Francis Journals Complete |
| subjects | Biological and medical sciences Cell physiology Chlorine - chemistry Crystallization Cytosine - analogs & derivatives Cytosine - chemistry Cytosine - radiation effects Effects of physical and chemical agents Fundamental and applied biological sciences. Psychology Magnetics Molecular and cellular biology Sulfhydryl Compounds |
| title | Nature of the chlorine-centred paramagnetic species in irradiated crystals of cytosine hydrochloride doped with thiocytosine |
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