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dc.contributor.author하산 르가즈-
dc.date.accessioned2022-08-11T01:49:05Z-
dc.date.available2022-08-11T01:49:05Z-
dc.date.issued2021-11-
dc.identifier.citationJOURNAL OF MOLECULAR LIQUIDS, v. 341, Page. 117339-117339en_US
dc.identifier.issn01677322-
dc.identifier.issn18733166-
dc.identifier.urihttps://www.sciencedirect.com/science/article/pii/S0167732221020638-
dc.identifier.urihttps://repository.hanyang.ac.kr/handle/20.500.11754/172358-
dc.description.abstractHemilabile 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.en_US
dc.description.sponsorshipThe authors extend their appreciation to the Researchers Sup- porting Project number (RSP-2021/396), King Saud University, Riyadh, Saudi Arabia.en_US
dc.language.isoenen_US
dc.publisherELSEVIERen_US
dc.subjectRu(II)en_US
dc.subjectHemilabileen_US
dc.subjectHalochromismen_US
dc.subjectTrans/cis-isomerizationen_US
dc.subject(3)1P{H-1} NMRen_US
dc.titleHemilability in neutral RuCl2(eta(1-PO)-O-boolean AND)(2)((NN)-N-boolean AND) complexes: Physicochemical, trans/cis-isomerization, thermal and A DFT/TD-DFTen_US
dc.typeArticleen_US
dc.relation.volume341-
dc.identifier.doi10.1016/j.molliq.2021.117339-
dc.relation.page117339-117339-
dc.relation.journalJOURNAL OF MOLECULAR LIQUIDS-
dc.contributor.googleauthorAlObaid, Abeer A.-
dc.contributor.googleauthorAl-Zaqri, Nabil-
dc.contributor.googleauthorAl-Muhimeed, Tahani, I-
dc.contributor.googleauthorAljohani, Meshari M. H.-
dc.contributor.googleauthorZarrouk, Abdelkader-
dc.contributor.googleauthorLgaz, Hassane-
dc.contributor.googleauthorWarad, Ismail-
dc.relation.code2021005569-
dc.sector.campusE-
dc.sector.daehakOFFICE OF ACADEMIC AFFAIRS[E]-
dc.sector.departmentCENTER FOR CREATIVE CONVERGENCE EDUCATION-
dc.identifier.pidhlgaz-
Appears in Collections:
OFFICE OF ACADEMIC AFFAIRS[E](교무처) > Center for Creative Convergence Education(창의융합교육원) > Articles
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