New Cu(I) and Ag(I) binuclear complexes containing the dppa ligand

LIU, H. Z., M. J. CALHORDA, M. G. B. DREW, V. FELIX, J. NOVOSAD, L. F. VEIROS, F. F. DE BIANI and P. ZANELLO. New Cu(I) and Ag(I) binuclear complexes containing the dppa ligand. J. Chem. Soc., Dalton Trans. Velká Británie: The Royal Society of Chemistry, 2002, -, No 23, p. 4365-4374. ISSN 0300-9246.

Basic information

• Original name: New Cu(I) and Ag(I) binuclear complexes containing the dppa ligand
• Authors: LIU, H. Z. (156 China, guarantor), M. J. CALHORDA (620 Portugal), M. G. B. DREW (826 United Kingdom of Great Britain and Northern Ireland), V. FELIX (620 Portugal), J. NOVOSAD (203 Czech Republic), L. F. VEIROS (620 Portugal), F. F. DE BIANI (380 Italy) and P. ZANELLO (380 Italy).
• Edition: J. Chem. Soc., Dalton Trans. Velká Británie, The Royal Society of Chemistry, 2002, 0300-9246.

Other information

• Original language: English
• Type of outcome: Article in a journal
• Field of Study: 10402 Inorganic and nuclear chemistry
• Country of publisher: United Kingdom of Great Britain and Northern Ireland
• Confidentiality degree: is not subject to a state or trade secret
• Impact factor: Impact factor: 2.310 in 1999
• RIV identification code: RIV/00216224:14310/02:00007289
• Organization unit: Faculty of Science
• UT WoS: 000179551300011
• Keywords in English: MOLECULAR-ORBITAL METHODS; EFFECTIVE CORE POTENTIALS; GAUSSIAN-TYPE BASIS; METAL-METAL BONDS; POLARIZATION FUNCTIONS; BASIS-SETS; ORGANIC-MOLECULES; CRYSTAL; COPPER(I); EQUILIBRIUM
• Tags: BASIS-SETS, COPPER(I), CRYSTAL, EFFECTIVE CORE POTENTIALS, equilibrium, GAUSSIAN-TYPE BASIS, METAL-METAL BONDS, MOLECULAR-ORBITAL METHODS, ORGANIC-MOLECULES, POLARIZATION FUNCTIONS

Abstract

New Cu(I) and Ag(I) binuclear complexes were prepared by reaction of [M(NCCH3)(4)][PF6] (M = Ag, Cu) with the bidentate phosphine ligands Ph2PNHPPh2 (dppa) and Ph2PCH2PPh2 (dppm). In the reaction of Cu(I) with dppa the phosphine is easily oxidized to give the octahedral species of [Cu(dppaO(2))(3)][PF6], 1. In an inert atmosphere, the binuclear complexes [Cu-2(dppa)(2)(NCCH3)(3)][PF6](2), 2, [Cu-2(dppa)(2)(NCCH3)(4)][PF6](2), 3, [Ag-2(dppa)(2)(NCCH3)(2)][PF6](2), 4, and [Ag-2(dPPM)(2)][PF6](2), 5, were formed and structurally characterized by X-ray diffraction (except for 5). The electrochemical studies showed that the most relevant property of the binuclear species was the ease of forming the metal upon reduction. EH and DFT calculations were performed in order to try and understand the structural features of the [M-2(dppa)(2)(NCCH3)(x)](n+) complexes, including the 0.47 Angstrom increase in M ... M distance upon going from 2 to 3.

Links

• GA202/00/0645, research and development project: Name: Vývoj nových metod pro řešení struktur aperiodických krystalů
• GA203/97/0955, research and development project: Name: Studium syntézy, struktury a vazebných poměrů ve sloučeninách obsahujících současně dusík, fosfor, chalkogen a/nebo halogen

Investor: Czech Science Foundation, Synthesis ,structure and bonding of compounds containing phosphorus,nitrogen,chalcogene and/or halogene atoms

• GA203/98/0676, research and development project: Name: Krystalová struktura a vazebné poměry sloučenin nekovů V., VI. a VII. grupy periodického systému

Investor: Czech Science Foundation, Crystal structures and bonding in non-metal compounds of the V., VI. , and VII. group of the periodic systém

• GA203/99/0067, research and development project: Name: Pronájem krystalografických databází
• MSM 143100011, plan (intention): Name: Struktura a vazebné poměry, vlastnosti a analýza syntetických a přírodních molekulových ansamblů

Investor: Ministry of Education, Youth and Sports of the CR, Structure and character of bonding, properties and analysis of synthetic and natural molecular ensembles