Dissecting out the effect of Ru-OAr bonding in a five-coordinate complex of ruthenium (II)

Sebastien Monfette, João A. Duarte Silva, Serge I. Gorelsky, Scott J. Dalgarno, Eduardo N. Dos Santos, Maria H. Araujo, Deryn E. Fogg

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4 Citations (Scopus)

Abstract

Blue Ru(o-cat)(PPh3)3 (5; o-cat = ortho-catecholate), obtained in 94% yield by reaction of RuCl2(PPh3) 3 (4) with dithallium catecholate, was characterized by NMR, MALDI-MS, IR, and single crystal X-ray analysis, and by a combined electronic spectroscopy and time-dependent density functional theory (TD-DFT) study. The frontier orbitals in 5 participate in a low-energy charge transfer excitation involving donation from the Ru-catecholate p bond (largely localized on catecholate) to a low-lying sz.ast; orbital on Ru-PPh 3(apical). The energy of this transition increases on binding a pyridine ligand in the sixth site. © 2008 NRC Canada.

Original languageEnglish
Pages (from-to)361-367
Number of pages7
JournalCanadian Journal of Chemistry
Volume87
Issue number1 SPEC. ISS.
DOIs
Publication statusPublished - Jan 2009

Keywords

  • Catecholate
  • Electronic spectroscopy
  • Phosphine
  • Ruthenium aryloxide
  • Time-dependent DFT

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    Monfette, S., Duarte Silva, J. A., Gorelsky, S. I., Dalgarno, S. J., Dos Santos, E. N., Araujo, M. H., & Fogg, D. E. (2009). Dissecting out the effect of Ru-OAr bonding in a five-coordinate complex of ruthenium (II). Canadian Journal of Chemistry, 87(1 SPEC. ISS.), 361-367. https://doi.org/10.1139/V08-147