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Title: Comparative study on crystal structures of [Ru(bpy)[sub 2](CO)[sub 2]](PF[sub 6])[sub 2], [Ru(bpy)[sub 2](CO)(C(O)OCH[sub 3])]B(C[sub 6]H[sub 5])[sub 4][center dot]CH[sub 3]CN, and [Ru(bpy)[sub 2](CO)([eta][sup 1]-CO[sub 2])][center dot]3H[sub 2]O (bpy = 2,2[prime]-bipyridyl)

Abstract

The molecular structures of [Ru(bpy)[sub 2](CO)[sub 2]](PF[sub 6])[sub 2], [Ru(bpy)[sub 2](CO)(C(O)OCH[sub 3])]B(C[sub 6]H[sub 5])[sub 4][center dot]CH[sub 3]CN as a model complex of [Ru(bpy)[sub 2](CO)(C(O)OH)][sup +], and [Ru(bpy)[sub 2](CO)([eta][sup 1]-CO[sub 2])][center dot]3H[sub 2]O have been determined by X-ray analysis. The observation that the Ru-C(O)OCH[sub 3] bond distance of [Ru(bpy)[sub 2](CO)(C(O)OCH[sub 3])][sup +] i shorter than the Ru-CO[sub 2] one of [Ru(bpy)[sub 2](CO)(CO[sub 2])] suggests that the multibond character of the Ru-CO[sub 2] bond is not larger than that for Ru-C(O)OCH[sub 3]. One extra electron pair involved in [Ru(bpy)[sub 2](CO)(CO[sub 2])] resulting from dissociation of a terminal proton of [Ru(bpy)[sub 2](CO)(C(O)OH)][sup +] may be mainly localized in the CO[sub 2] ligand rather than delocalized over the RuCO[sub 2] moiety, and the extended three-dimensional network of hydrogen bonding between the CO[sub 2] ligand and three hydrated water molecules compensates the increase in the electron density of the CO[sub 2] moiety of [Ru(bpy)[sub 2](CO)(CO[sub 2])][center dot]3H[sub 2]O. 19 refs., 7 figs.

Authors:
; ;  [1]; ;  [2]
  1. (Graduate Univ. for Advanced Studies, Okazaki (Japan))
  2. (National Taiwan Univ., Taipei (Taiwan, Province of China))
Publication Date:
OSTI Identifier:
6465954
Resource Type:
Journal Article
Journal Name:
Inorganic Chemistry; (United States)
Additional Journal Information:
Journal Volume: 32:8; Journal ID: ISSN 0020-1669
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; RUTHENIUM COMPLEXES; STRUCTURAL CHEMICAL ANALYSIS; ACETONITRILE; BIPYRIDINES; CARBON DIOXIDE; CARBONYLS; CHEMICAL PREPARATION; CRYSTAL STRUCTURE; ELECTRON DENSITY; HYDRATES; MOLECULAR STRUCTURE; WATER; X-RAY DIFFRACTION; AZINES; CARBON COMPOUNDS; CARBON OXIDES; CHALCOGENIDES; COHERENT SCATTERING; COMPLEXES; DIFFRACTION; HETEROCYCLIC COMPOUNDS; HYDROGEN COMPOUNDS; NITRILES; ORGANIC COMPOUNDS; ORGANIC NITROGEN COMPOUNDS; OXIDES; OXYGEN COMPOUNDS; PYRIDINES; SCATTERING; SYNTHESIS; TRANSITION ELEMENT COMPLEXES; 400201* - Chemical & Physicochemical Properties

Citation Formats

Tanaka, Hiroaki, Nagao, Hirotaka, Tanaka, Koji, Biingchiau Tzeng, and Shieming Peng. Comparative study on crystal structures of [Ru(bpy)[sub 2](CO)[sub 2]](PF[sub 6])[sub 2], [Ru(bpy)[sub 2](CO)(C(O)OCH[sub 3])]B(C[sub 6]H[sub 5])[sub 4][center dot]CH[sub 3]CN, and [Ru(bpy)[sub 2](CO)([eta][sup 1]-CO[sub 2])][center dot]3H[sub 2]O (bpy = 2,2[prime]-bipyridyl). United States: N. p., 1993. Web. doi:10.1021/ic00060a029.
Tanaka, Hiroaki, Nagao, Hirotaka, Tanaka, Koji, Biingchiau Tzeng, & Shieming Peng. Comparative study on crystal structures of [Ru(bpy)[sub 2](CO)[sub 2]](PF[sub 6])[sub 2], [Ru(bpy)[sub 2](CO)(C(O)OCH[sub 3])]B(C[sub 6]H[sub 5])[sub 4][center dot]CH[sub 3]CN, and [Ru(bpy)[sub 2](CO)([eta][sup 1]-CO[sub 2])][center dot]3H[sub 2]O (bpy = 2,2[prime]-bipyridyl). United States. doi:10.1021/ic00060a029.
Tanaka, Hiroaki, Nagao, Hirotaka, Tanaka, Koji, Biingchiau Tzeng, and Shieming Peng. Wed . "Comparative study on crystal structures of [Ru(bpy)[sub 2](CO)[sub 2]](PF[sub 6])[sub 2], [Ru(bpy)[sub 2](CO)(C(O)OCH[sub 3])]B(C[sub 6]H[sub 5])[sub 4][center dot]CH[sub 3]CN, and [Ru(bpy)[sub 2](CO)([eta][sup 1]-CO[sub 2])][center dot]3H[sub 2]O (bpy = 2,2[prime]-bipyridyl)". United States. doi:10.1021/ic00060a029.
@article{osti_6465954,
title = {Comparative study on crystal structures of [Ru(bpy)[sub 2](CO)[sub 2]](PF[sub 6])[sub 2], [Ru(bpy)[sub 2](CO)(C(O)OCH[sub 3])]B(C[sub 6]H[sub 5])[sub 4][center dot]CH[sub 3]CN, and [Ru(bpy)[sub 2](CO)([eta][sup 1]-CO[sub 2])][center dot]3H[sub 2]O (bpy = 2,2[prime]-bipyridyl)},
author = {Tanaka, Hiroaki and Nagao, Hirotaka and Tanaka, Koji and Biingchiau Tzeng and Shieming Peng},
abstractNote = {The molecular structures of [Ru(bpy)[sub 2](CO)[sub 2]](PF[sub 6])[sub 2], [Ru(bpy)[sub 2](CO)(C(O)OCH[sub 3])]B(C[sub 6]H[sub 5])[sub 4][center dot]CH[sub 3]CN as a model complex of [Ru(bpy)[sub 2](CO)(C(O)OH)][sup +], and [Ru(bpy)[sub 2](CO)([eta][sup 1]-CO[sub 2])][center dot]3H[sub 2]O have been determined by X-ray analysis. The observation that the Ru-C(O)OCH[sub 3] bond distance of [Ru(bpy)[sub 2](CO)(C(O)OCH[sub 3])][sup +] i shorter than the Ru-CO[sub 2] one of [Ru(bpy)[sub 2](CO)(CO[sub 2])] suggests that the multibond character of the Ru-CO[sub 2] bond is not larger than that for Ru-C(O)OCH[sub 3]. One extra electron pair involved in [Ru(bpy)[sub 2](CO)(CO[sub 2])] resulting from dissociation of a terminal proton of [Ru(bpy)[sub 2](CO)(C(O)OH)][sup +] may be mainly localized in the CO[sub 2] ligand rather than delocalized over the RuCO[sub 2] moiety, and the extended three-dimensional network of hydrogen bonding between the CO[sub 2] ligand and three hydrated water molecules compensates the increase in the electron density of the CO[sub 2] moiety of [Ru(bpy)[sub 2](CO)(CO[sub 2])][center dot]3H[sub 2]O. 19 refs., 7 figs.},
doi = {10.1021/ic00060a029},
journal = {Inorganic Chemistry; (United States)},
issn = {0020-1669},
number = ,
volume = 32:8,
place = {United States},
year = {1993},
month = {4}
}