Abstract

Hemilabile neutral Ru(II) complexes of type trans-RuCl₂(η¹P^∩O)₂N^∩N, (P^∩O = Ph₂PCH₂CH-(OCH₃)_2,N^∩N = 1,3-diaminopropane (1) and 1,2-diaminopropane (2) were made available in high yield. The hemilabile phenomena in P^∩O ligand formed RuCl₂(η²P^∩O)₂, the trans to cis isomerization and Halochromism reactions were monitored individually via liquid ³¹P{¹H} NMR. The desired new complexes were identified by UV–Vis, CV, CHN-elemental analysis, fast atom bombardment mass spectrometry (FAB-MS), ¹H-, ³¹P-{¹H}, ¹³C{¹H}-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.

Title

Ismail Warad

Publisher

Ismail Warad

Publisher Country

Palestine

Publication Type

Prtinted only

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