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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

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
Author
하산 르가즈
Keywords
Ru(II); Hemilabile; Halochromism; Trans/cis-isomerization; (3)1P{H-1} NMR
Issue Date
2021-11
Publisher
ELSEVIER
Citation
JOURNAL OF MOLECULAR LIQUIDS, v. 341, Page. 117339-117339
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.
URI
https://www.sciencedirect.com/science/article/pii/S0167732221020638https://repository.hanyang.ac.kr/handle/20.500.11754/172358
ISSN
01677322; 18733166
DOI
10.1016/j.molliq.2021.117339
Appears in Collections:
OFFICE OF ACADEMIC AFFAIRS[E](교무처) > Center for Creative Convergence Education(창의융합교육원) > Articles
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