Hemilability in neutral RuCl2(eta(1-PO)-O-boolean AND)(2)((NN)-N-boolean AND) complexes: Physicochemical, trans/cis-isomerization, thermal and A DFT/TD-DFT
DC Field | Value | Language |
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dc.contributor.author | AlObaid, Abeer A. | - |
dc.contributor.author | Al-Zaqri, Nabil | - |
dc.contributor.author | Al-Muhimeed, Tahani, I | - |
dc.contributor.author | Aljohani, Meshari M. H. | - |
dc.contributor.author | Zarrouk, Abdelkader | - |
dc.contributor.author | Lgaz, Hassane | - |
dc.contributor.author | Warad, Ismail | - |
dc.date.accessioned | 2022-10-07T09:19:28Z | - |
dc.date.available | 2022-10-07T09:19:28Z | - |
dc.date.issued | 2021-11 | - |
dc.identifier.issn | 0167-7322 | - |
dc.identifier.issn | 1873-3166 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/erica/handle/2021.sw.erica/110446 | - |
dc.description.abstract | Hemilabile neutral Ru(II) complexes of type trans-RuCl2(eta(PO)-P-1-O-boolean AND)(2)(NN)-N-boolean AND, ((PO)-O-boolean AND = Ph2PCH2CH-(OCH3)(2),(NN)-N-boolean AND = 1,3-diaminopropane (1) and 1,2-diaminopropane (2) were made available in high yield. The hemilabile phenomena in (PO)-O-boolean AND ligand formed RuCl2(eta(PO)-P-2-O-boolean AND)(2), the trans to cis isomerization and Halochromism reactions were monitored individually via liquid P-31{H-1} NMR. The desired new complexes were identified by UV-Vis, CV, CHN-elemental analysis, fast atom bombardment mass spectrometry (FAB-MS), H-1-, P-31-{H-1}, C-13{H-1}-NMR and TG/DTA. Moreover, complex 1 was subjected to DFT-optimization, HOMO/LUMO, density of state (DOS), and molecular electrostatic potential (MEP) computations. The experimental thermal behavior was also determined by TG/DTA in an open atmosphere. The time-dependent density functional theory (TD-DFT) was matched successfully to the Absorption behavior of complex 1 in CH2Cl2. (C) 2021 Elsevier B.V. All rights reserved. | - |
dc.format.extent | 9 | - |
dc.language | 영어 | - |
dc.language.iso | ENG | - |
dc.publisher | Elsevier BV | - |
dc.title | Hemilability in neutral RuCl2(eta(1-PO)-O-boolean AND)(2)((NN)-N-boolean AND) complexes: Physicochemical, trans/cis-isomerization, thermal and A DFT/TD-DFT | - |
dc.type | Article | - |
dc.publisher.location | 네델란드 | - |
dc.identifier.doi | 10.1016/j.molliq.2021.117339 | - |
dc.identifier.scopusid | 2-s2.0-85114294088 | - |
dc.identifier.wosid | 000700306300068 | - |
dc.identifier.bibliographicCitation | Journal of Molecular Liquids, v.341, pp 1 - 9 | - |
dc.citation.title | Journal of Molecular Liquids | - |
dc.citation.volume | 341 | - |
dc.citation.startPage | 1 | - |
dc.citation.endPage | 9 | - |
dc.type.docType | Article | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Physics | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.relation.journalWebOfScienceCategory | Physics, Atomic, Molecular & Chemical | - |
dc.subject.keywordPlus | ASYMMETRIC TRANSFER HYDROGENATION | - |
dc.subject.keywordPlus | SUPPORTED ORGANOMETALLIC COMPLEXES | - |
dc.subject.keywordPlus | DIAMINE(ETHER-PHOSPHINE)RUTHENIUM(II) COMPLEXES | - |
dc.subject.keywordPlus | CRYSTAL-STRUCTURE | - |
dc.subject.keywordPlus | SINGLE-CRYSTAL | - |
dc.subject.keywordPlus | LIGANDS | - |
dc.subject.keywordPlus | CATALYSTS | - |
dc.subject.keywordPlus | ELECTROCHEMISTRY | - |
dc.subject.keywordPlus | COORDINATION | - |
dc.subject.keywordAuthor | Ru(II) | - |
dc.subject.keywordAuthor | Hemilabile | - |
dc.subject.keywordAuthor | Halochromism | - |
dc.subject.keywordAuthor | Trans/cis-isomerization | - |
dc.subject.keywordAuthor | (3)1P{H-1} NMR | - |
dc.identifier.url | https://www.sciencedirect.com/science/article/pii/S0167732221020638?via%3Dihub | - |
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