Ruthenium Nitrosyls Derived from Tetradentate Ligands Containing Carboxamido-N and Phenolato-O Donors: Syntheses, Structures, Photolability, and Time Dependent Density Functional Theory Studies.
In: Inorganic Chemistry, Jg. 49 (2010-02-15), Heft 4, S. 1487-1495
Online
academicJournal
Zugriff:
In aider to examine the role(s) of designed ligands on the NO phololability of (Ru-NO)6 nitrosyls, a set of three nitrosyls with ligands containing two carboxamide groups along with a varying number of phenolates have been synthesized. The nitrosyls namely, (NEt4)2)(hybeb)Ru(NO)(OEt)) (1), (PPh4)[(hypyb)Ru(NO)(OEt)] (2), and [(bpb)Ru(NO)(OEt)] (3) have been characterized by X-ray crystallography. Complexes 1-3 are diamagnehc, exhibit VNO in the range 1780-1840cm-1 and rapidly release NO in solution upon exposure to low power UV light (7mW/cm2). Density Functional Theory (DFT) and Time Dependent DR (TDDFT) calculations on 1-3 indicate considerable contdbubon of ligand otbitals in the MOs involved in transitions leading to NO photolability. The results of the theoretical studies match well with the expedmenlal absorption spectra as well as the parameters for NO photorelease and provide insight into the transihon(s) associated with loss of NO. [ABSTRACT FROM AUTHOR]
| Titel: |
Ruthenium Nitrosyls Derived from Tetradentate Ligands Containing Carboxamido-N and Phenolato-O Donors: Syntheses, Structures, Photolability, and Time Dependent Density Functional Theory Studies.
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| Autor/in / Beteiligte Person: | Fry, Nicole L. ; Rose, Michael J. ; Rogow, David L. ; Nyitray, Crystal ; Kaur, Manpreet ; Mascharak, Pradip K. |
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| Zeitschrift: | Inorganic Chemistry, Jg. 49 (2010-02-15), Heft 4, S. 1487-1495 |
| Veröffentlichung: | 2010 |
| Medientyp: | academicJournal |
| ISSN: | 0020-1669 (print) |
| DOI: | 10.1021/ic9017129 |
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