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Photoelectron spectra of bis-cyclopentadienyl metal dihalides

He(I) and HE(II) photoelectron spectra are reported for (η-C 5H 5) 2MX 2 (M = Ti; X = F, Cl, Br, I: M = Zr, Hf; X = Cl, Br: M = Ta; X = Cl, Br) and (η-MeC 5H 4) 2MX 2 (M = Nb, X = Cl: M = Mo; X = Cl, Br, I). A substantial variation is found in the ordering of the halogen and cyclopentadienyl ionizat...

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Published in:Journal of electron spectroscopy and related phenomena 1980, Vol.18 (1), p.61-73
Main Authors: Cauletti, Carla, Clark, John P., Green, Jennifer C., Jackson, Sally E., Fragala, Ignazio L., Ciliberto, E., Coleman, Anthony W.
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cited_by cdi_FETCH-LOGICAL-c338t-c6b947c93b7d2407a06f99d32354835a3448f1dc6911bddb79de683f9f2d4ffa3
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container_title Journal of electron spectroscopy and related phenomena
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creator Cauletti, Carla
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description He(I) and HE(II) photoelectron spectra are reported for (η-C 5H 5) 2MX 2 (M = Ti; X = F, Cl, Br, I: M = Zr, Hf; X = Cl, Br: M = Ta; X = Cl, Br) and (η-MeC 5H 4) 2MX 2 (M = Nb, X = Cl: M = Mo; X = Cl, Br, I). A substantial variation is found in the ordering of the halogen and cyclopentadienyl ionizations, the order being dependent on the metal as well as on the halogen. The compounds may be divided into three classes, namely, those in which the electrons in cyclopentadienyl e 1 orbitals ionize at a lower energy than those occupying halogen pπ orbitals, those in which halogen pπ electrons have lower ionization energy than cyclopentadienyl e 1 electrons and those in which the corresponding electrons arise from extensively delocalized molecular orbitals with significant contributions from both these categories of fragment orbital.
doi_str_mv 10.1016/0368-2048(80)80006-5
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A substantial variation is found in the ordering of the halogen and cyclopentadienyl ionizations, the order being dependent on the metal as well as on the halogen. The compounds may be divided into three classes, namely, those in which the electrons in cyclopentadienyl e 1 orbitals ionize at a lower energy than those occupying halogen pπ orbitals, those in which halogen pπ electrons have lower ionization energy than cyclopentadienyl e 1 electrons and those in which the corresponding electrons arise from extensively delocalized molecular orbitals with significant contributions from both these categories of fragment orbital.</description><identifier>ISSN: 0368-2048</identifier><identifier>EISSN: 1873-2526</identifier><identifier>DOI: 10.1016/0368-2048(80)80006-5</identifier><language>eng</language><publisher>Elsevier B.V</publisher><subject>Biochemistry, Molecular Biology ; Life Sciences</subject><ispartof>Journal of electron spectroscopy and related phenomena, 1980, Vol.18 (1), p.61-73</ispartof><rights>1980</rights><rights>Distributed under a Creative Commons Attribution 4.0 International License</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c338t-c6b947c93b7d2407a06f99d32354835a3448f1dc6911bddb79de683f9f2d4ffa3</citedby><cites>FETCH-LOGICAL-c338t-c6b947c93b7d2407a06f99d32354835a3448f1dc6911bddb79de683f9f2d4ffa3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://www.sciencedirect.com/science/article/pii/0368204880800065$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>230,314,776,780,881,3606,4010,27900,27901,27902,45959</link.rule.ids><backlink>$$Uhttps://hal.science/hal-00314709$$DView record in HAL$$Hfree_for_read</backlink></links><search><creatorcontrib>Cauletti, Carla</creatorcontrib><creatorcontrib>Clark, John P.</creatorcontrib><creatorcontrib>Green, Jennifer C.</creatorcontrib><creatorcontrib>Jackson, Sally E.</creatorcontrib><creatorcontrib>Fragala, Ignazio L.</creatorcontrib><creatorcontrib>Ciliberto, E.</creatorcontrib><creatorcontrib>Coleman, Anthony W.</creatorcontrib><title>Photoelectron spectra of bis-cyclopentadienyl metal dihalides</title><title>Journal of electron spectroscopy and related phenomena</title><description>He(I) and HE(II) photoelectron spectra are reported for (η-C 5H 5) 2MX 2 (M = Ti; X = F, Cl, Br, I: M = Zr, Hf; X = Cl, Br: M = Ta; X = Cl, Br) and (η-MeC 5H 4) 2MX 2 (M = Nb, X = Cl: M = Mo; X = Cl, Br, I). 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A substantial variation is found in the ordering of the halogen and cyclopentadienyl ionizations, the order being dependent on the metal as well as on the halogen. The compounds may be divided into three classes, namely, those in which the electrons in cyclopentadienyl e 1 orbitals ionize at a lower energy than those occupying halogen pπ orbitals, those in which halogen pπ electrons have lower ionization energy than cyclopentadienyl e 1 electrons and those in which the corresponding electrons arise from extensively delocalized molecular orbitals with significant contributions from both these categories of fragment orbital.</abstract><pub>Elsevier B.V</pub><doi>10.1016/0368-2048(80)80006-5</doi><tpages>13</tpages></addata></record>
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Life Sciences
title Photoelectron spectra of bis-cyclopentadienyl metal dihalides
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