Crystal structure of a mononuclear RuII complex with a back-to-back terpyridine ligand: [RuCl(bpy)(tpy–tpy)]+
Abstract
We report the structural characterization of [6',6''-bis(pyridin-2-yl)-2,2':4',4'':2'',2''-quaterpyridine](2,2'-bipyridine)chloridoruthenium(II) hexafluoridophosphate, [RuCl(C10H8N2)(C30H20N6)]PF6, which contains the bidentate ligand 2,2'-bipyridine (bpy) and the tridendate ligand 6',6''-bis(pyridin-2-yl)-2,2':4',4'':2'',2'''-quaterpyridine (tpy–tpy). The [RuCl(bpy)(tpy–tpy)]+ monocation has a distorted octahedral geometry at the central RuII ion due to the restricted bite angle [159.32 (16)°] of the tridendate ligand. The Ru-bound tpy and bpy moieties are nearly planar and essentially perpendicular to each other with a dihedral angle of 89.78 (11)° between the least-squares planes. The lengths of the two Ru—N bonds for bpy are 2.028 (4) and 2.075 (4) Å, with the shorter bond being opposite to Ru—Cl. For tpy–tpy, the mean Ru—N distance involving the outer N atomstransto each other is 2.053 (8) Å, whereas the length of the much shorter bond involving the central N atom is 1.936 (4) Å. The Ru—Cl distance is 2.3982 (16) Å. The free uncoordinated moiety of tpy–tpy adopts a trans,trans conformation about the interannular C—C bonds, with adjacent pyridyl rings being only approximately coplanar. The crystal packing shows significant π–π stacking interactions based on tpy–tpy. The crystal structure reported here is the first for a tpy–tpy complex of ruthenium.
- Authors:
-
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Publication Date:
- Research Org.:
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1629254
- Grant/Contract Number:
- AC52-06NA25396
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Acta Crystallographica. Section E, Crystallographic Communications
- Additional Journal Information:
- Journal Volume: 71; Journal Issue: 9; Journal ID: ISSN 2056-9890
- Publisher:
- International Union of Crystallography
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; crystal structure; π–π stacking; terpyridine; ruthenium catalysts
Citation Formats
Rein, Francisca N., Chen, Weizhong, Scott, Brian L., and Rocha, Reginaldo C. Crystal structure of a mononuclear RuII complex with a back-to-back terpyridine ligand: [RuCl(bpy)(tpy–tpy)]+. United States: N. p., 2015.
Web. doi:10.1107/S2056989015014632.
Rein, Francisca N., Chen, Weizhong, Scott, Brian L., & Rocha, Reginaldo C. Crystal structure of a mononuclear RuII complex with a back-to-back terpyridine ligand: [RuCl(bpy)(tpy–tpy)]+. United States. https://doi.org/10.1107/S2056989015014632
Rein, Francisca N., Chen, Weizhong, Scott, Brian L., and Rocha, Reginaldo C. Wed .
"Crystal structure of a mononuclear RuII complex with a back-to-back terpyridine ligand: [RuCl(bpy)(tpy–tpy)]+". United States. https://doi.org/10.1107/S2056989015014632. https://www.osti.gov/servlets/purl/1629254.
@article{osti_1629254,
title = {Crystal structure of a mononuclear RuII complex with a back-to-back terpyridine ligand: [RuCl(bpy)(tpy–tpy)]+},
author = {Rein, Francisca N. and Chen, Weizhong and Scott, Brian L. and Rocha, Reginaldo C.},
abstractNote = {We report the structural characterization of [6',6''-bis(pyridin-2-yl)-2,2':4',4'':2'',2''-quaterpyridine](2,2'-bipyridine)chloridoruthenium(II) hexafluoridophosphate, [RuCl(C10H8N2)(C30H20N6)]PF6, which contains the bidentate ligand 2,2'-bipyridine (bpy) and the tridendate ligand 6',6''-bis(pyridin-2-yl)-2,2':4',4'':2'',2'''-quaterpyridine (tpy–tpy). The [RuCl(bpy)(tpy–tpy)]+ monocation has a distorted octahedral geometry at the central RuII ion due to the restricted bite angle [159.32 (16)°] of the tridendate ligand. The Ru-bound tpy and bpy moieties are nearly planar and essentially perpendicular to each other with a dihedral angle of 89.78 (11)° between the least-squares planes. The lengths of the two Ru—N bonds for bpy are 2.028 (4) and 2.075 (4) Å, with the shorter bond being opposite to Ru—Cl. For tpy–tpy, the mean Ru—N distance involving the outer N atomstransto each other is 2.053 (8) Å, whereas the length of the much shorter bond involving the central N atom is 1.936 (4) Å. The Ru—Cl distance is 2.3982 (16) Å. The free uncoordinated moiety of tpy–tpy adopts a trans,trans conformation about the interannular C—C bonds, with adjacent pyridyl rings being only approximately coplanar. The crystal packing shows significant π–π stacking interactions based on tpy–tpy. The crystal structure reported here is the first for a tpy–tpy complex of ruthenium.},
doi = {10.1107/S2056989015014632},
journal = {Acta Crystallographica. Section E, Crystallographic Communications},
number = 9,
volume = 71,
place = {United States},
year = {Wed Aug 12 00:00:00 EDT 2015},
month = {Wed Aug 12 00:00:00 EDT 2015}
}
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