Electronic Structure and Gas-Phase Thermolysis of Substituted Tetrazolines Studied by Photoelectron Spectroscopy
The electronic structures and the gas‐phase thermolyses of tetrazolines 1 –5 have been studied by photoelectron spectroscopy. For compounds 1–4 cycloreversion to imine and methyl azide is observed, whereas compound 5 is contracted to give the respective diaziridine. To assign the PE spectra, MNDO ca...
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| Veröffentlicht in: | Chemische Berichte 1988-07, Vol.121 (7), p.1213-1217 |
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| container_title | Chemische Berichte |
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| creator | Rademacher, Paul Carboni, Bertrand Carrié, Robert Heymanns, Peter Poppek, Rainer |
| description | The electronic structures and the gas‐phase thermolyses of tetrazolines 1 –5 have been studied by photoelectron spectroscopy. For compounds 1–4 cycloreversion to imine and methyl azide is observed, whereas compound 5 is contracted to give the respective diaziridine. To assign the PE spectra, MNDO calculations were performed for compounds 1, 2, 4, and 5; some conformational properties of 5 have also been studied by AM 1 calculations.
Photoelektronenspektren, elektronische Struktur und Gasphasenthermolyse von substituierten Tetrazolinen
Die elektronische Struktur und die Gasphasenthermolyse der Tetrazoline 1–5 wurden durch Photoelektronenspektroskopie untersucht. Die Verbindungen 1–4 zerfallen durch Cycloreversion in Methylazid und die entsprechenden Imine. Demgegenüber wird aus 5 unter Ringkontraktion ein Diaziridin gebildet. Zur Zuordnung der PE‐Spektren wurden an den Verbindungen 1, 2, 4 und 5 MNDO‐Rechnungen, zur Konformationsanalyse von 5 auch AM1‐Rechnungen durchgeführt. |
| doi_str_mv | 10.1002/cber.19881210702 |
| format | Article |
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Photoelektronenspektren, elektronische Struktur und Gasphasenthermolyse von substituierten Tetrazolinen
Die elektronische Struktur und die Gasphasenthermolyse der Tetrazoline 1–5 wurden durch Photoelektronenspektroskopie untersucht. Die Verbindungen 1–4 zerfallen durch Cycloreversion in Methylazid und die entsprechenden Imine. Demgegenüber wird aus 5 unter Ringkontraktion ein Diaziridin gebildet. Zur Zuordnung der PE‐Spektren wurden an den Verbindungen 1, 2, 4 und 5 MNDO‐Rechnungen, zur Konformationsanalyse von 5 auch AM1‐Rechnungen durchgeführt.</description><identifier>ISSN: 0009-2940</identifier><identifier>EISSN: 1099-0682</identifier><identifier>DOI: 10.1002/cber.19881210702</identifier><identifier>CODEN: CHBEAM</identifier><language>eng</language><publisher>Weinheim: WILEY-VCH Verlag</publisher><subject>Chemistry ; Exact sciences and technology ; Heterocyclic compounds ; Heterocyclic compounds with several n hetero atoms in the same ring, in separated rings or in fused rings ; Organic chemistry ; Preparations and properties</subject><ispartof>Chemische Berichte, 1988-07, Vol.121 (7), p.1213-1217</ispartof><rights>Copyright © 1988 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim</rights><rights>1989 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c3622-c004f274862ddcdc7ed5a31897321de87e770b2b11fdbd63432f31a09a5760d3</citedby><cites>FETCH-LOGICAL-c3622-c004f274862ddcdc7ed5a31897321de87e770b2b11fdbd63432f31a09a5760d3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://onlinelibrary.wiley.com/doi/pdf/10.1002%2Fcber.19881210702$$EPDF$$P50$$Gwiley$$H</linktopdf><linktohtml>$$Uhttps://onlinelibrary.wiley.com/doi/full/10.1002%2Fcber.19881210702$$EHTML$$P50$$Gwiley$$H</linktohtml><link.rule.ids>314,776,780,1411,27901,27902,45550,45551</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=7190460$$DView record in Pascal Francis$$Hfree_for_read</backlink></links><search><creatorcontrib>Rademacher, Paul</creatorcontrib><creatorcontrib>Carboni, Bertrand</creatorcontrib><creatorcontrib>Carrié, Robert</creatorcontrib><creatorcontrib>Heymanns, Peter</creatorcontrib><creatorcontrib>Poppek, Rainer</creatorcontrib><title>Electronic Structure and Gas-Phase Thermolysis of Substituted Tetrazolines Studied by Photoelectron Spectroscopy</title><title>Chemische Berichte</title><addtitle>Chem. Ber</addtitle><description>The electronic structures and the gas‐phase thermolyses of tetrazolines 1 –5 have been studied by photoelectron spectroscopy. For compounds 1–4 cycloreversion to imine and methyl azide is observed, whereas compound 5 is contracted to give the respective diaziridine. To assign the PE spectra, MNDO calculations were performed for compounds 1, 2, 4, and 5; some conformational properties of 5 have also been studied by AM 1 calculations.
Photoelektronenspektren, elektronische Struktur und Gasphasenthermolyse von substituierten Tetrazolinen
Die elektronische Struktur und die Gasphasenthermolyse der Tetrazoline 1–5 wurden durch Photoelektronenspektroskopie untersucht. Die Verbindungen 1–4 zerfallen durch Cycloreversion in Methylazid und die entsprechenden Imine. Demgegenüber wird aus 5 unter Ringkontraktion ein Diaziridin gebildet. Zur Zuordnung der PE‐Spektren wurden an den Verbindungen 1, 2, 4 und 5 MNDO‐Rechnungen, zur Konformationsanalyse von 5 auch AM1‐Rechnungen durchgeführt.</description><subject>Chemistry</subject><subject>Exact sciences and technology</subject><subject>Heterocyclic compounds</subject><subject>Heterocyclic compounds with several n hetero atoms in the same ring, in separated rings or in fused rings</subject><subject>Organic chemistry</subject><subject>Preparations and properties</subject><issn>0009-2940</issn><issn>1099-0682</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1988</creationdate><recordtype>article</recordtype><recordid>eNqFkL1PwzAUxC0EEqWwM3pgDTzbqZ0MDLQqBQnx1UqMlmM7qiFtItsRhL-elKIKJqZ3errfnXQInRI4JwD0QhfWn5M8ywglIIDuoQGBPE-AZ3QfDQAgT2iewiE6CuEVgKWCswFqppXV0ddrp_E8-lbH1lus1gbPVEgelypYvFhav6qrLriA6xLP2yJEF9toDV7Y6NVnXbm1DT3fGtc_iw4_LutY259oPG--RdB10x2jg1JVwZ783CFaXE8Xk5vk7mF2O7m6SzTjlCYaIC2pSDNOjdFGC2tGipEsF4wSYzNhhYCCFoSUpjCcpYyWjCjI1UhwMGyIYBur-97gbSkb71bKd5KA3AwmN4PJX4P1yNkWaVTQqiq9WmsXdpwgOaQcetvl1vbuKtv9Gysn4-nz35pky7sQ7ceOV_5NcsHESL7cz-QTF4LOJ89yzL4AdCSO4Q</recordid><startdate>198807</startdate><enddate>198807</enddate><creator>Rademacher, Paul</creator><creator>Carboni, Bertrand</creator><creator>Carrié, Robert</creator><creator>Heymanns, Peter</creator><creator>Poppek, Rainer</creator><general>WILEY-VCH Verlag</general><general>WILEY‐VCH Verlag</general><general>VCH</general><scope>BSCLL</scope><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>198807</creationdate><title>Electronic Structure and Gas-Phase Thermolysis of Substituted Tetrazolines Studied by Photoelectron Spectroscopy</title><author>Rademacher, Paul ; Carboni, Bertrand ; Carrié, Robert ; Heymanns, Peter ; Poppek, Rainer</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c3622-c004f274862ddcdc7ed5a31897321de87e770b2b11fdbd63432f31a09a5760d3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1988</creationdate><topic>Chemistry</topic><topic>Exact sciences and technology</topic><topic>Heterocyclic compounds</topic><topic>Heterocyclic compounds with several n hetero atoms in the same ring, in separated rings or in fused rings</topic><topic>Organic chemistry</topic><topic>Preparations and properties</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Rademacher, Paul</creatorcontrib><creatorcontrib>Carboni, Bertrand</creatorcontrib><creatorcontrib>Carrié, Robert</creatorcontrib><creatorcontrib>Heymanns, Peter</creatorcontrib><creatorcontrib>Poppek, Rainer</creatorcontrib><collection>Istex</collection><collection>Pascal-Francis</collection><collection>CrossRef</collection><jtitle>Chemische Berichte</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Rademacher, Paul</au><au>Carboni, Bertrand</au><au>Carrié, Robert</au><au>Heymanns, Peter</au><au>Poppek, Rainer</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Electronic Structure and Gas-Phase Thermolysis of Substituted Tetrazolines Studied by Photoelectron Spectroscopy</atitle><jtitle>Chemische Berichte</jtitle><addtitle>Chem. Ber</addtitle><date>1988-07</date><risdate>1988</risdate><volume>121</volume><issue>7</issue><spage>1213</spage><epage>1217</epage><pages>1213-1217</pages><issn>0009-2940</issn><eissn>1099-0682</eissn><coden>CHBEAM</coden><abstract>The electronic structures and the gas‐phase thermolyses of tetrazolines 1 –5 have been studied by photoelectron spectroscopy. For compounds 1–4 cycloreversion to imine and methyl azide is observed, whereas compound 5 is contracted to give the respective diaziridine. To assign the PE spectra, MNDO calculations were performed for compounds 1, 2, 4, and 5; some conformational properties of 5 have also been studied by AM 1 calculations.
Photoelektronenspektren, elektronische Struktur und Gasphasenthermolyse von substituierten Tetrazolinen
Die elektronische Struktur und die Gasphasenthermolyse der Tetrazoline 1–5 wurden durch Photoelektronenspektroskopie untersucht. Die Verbindungen 1–4 zerfallen durch Cycloreversion in Methylazid und die entsprechenden Imine. Demgegenüber wird aus 5 unter Ringkontraktion ein Diaziridin gebildet. Zur Zuordnung der PE‐Spektren wurden an den Verbindungen 1, 2, 4 und 5 MNDO‐Rechnungen, zur Konformationsanalyse von 5 auch AM1‐Rechnungen durchgeführt.</abstract><cop>Weinheim</cop><pub>WILEY-VCH Verlag</pub><doi>10.1002/cber.19881210702</doi><tpages>5</tpages></addata></record> |
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| source | Wiley Online Library Journals Frontfile Complete |
| subjects | Chemistry Exact sciences and technology Heterocyclic compounds Heterocyclic compounds with several n hetero atoms in the same ring, in separated rings or in fused rings Organic chemistry Preparations and properties |
| title | Electronic Structure and Gas-Phase Thermolysis of Substituted Tetrazolines Studied by Photoelectron Spectroscopy |
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