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

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Other information

Language

English

Type of outcome

Článek v odborném periodiku

Field of Study

10402 Inorganic and nuclear chemistry

Country of publisher

United Kingdom of Great Britain and Northern Ireland

Confidentiality degree

není předmětem státního či obchodního tajemství

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

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Abstract

V originále

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.

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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