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Structure Determination of Homoleptic Au I , Ag I , and Cu I Aryl/Alkylethynyl Coordination Polymers by X‐ray Powder Diffraction
Author(s) -
Chui Stephen S. Y.,
Ng Miro F. Y.,
Che ChiMing
Publication year - 2005
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.200400881
Subject(s) - homoleptic , crystallography , crystal structure , powder diffraction , x ray crystallography , aryl , materials science , single crystal , chemistry , metal , diffraction , physics , organic chemistry , alkyl , optics
This article describes the structure determination of five homoleptic d 10 metal–aryl/alkylacetylides [RCCM] (M=Cu, R= t Bu 1 , n Pr 2 , Ph 3 ; R=Ph, M=Ag 4 ; Au 5 ) by using X‐ray single‐crystal and powder diffraction. Complex 1 ⋅C 6 H 6 reveals an unusual Cu 20 catenane cluster structure that has various types of t BuCC→Cu coordination modes. By using this single‐crystal structure as a starting model for subsequent Rietveld refinement of X‐ray powder diffraction data, the structure of the powder synthesized from CuI and t BuCCH was found to have the same structure as 1 . Complex 2 has an extended sheet structure consisting of discrete zig‐zag Cu 4 subunits connected through bridging n PrCC groups. Complex 3 forms an infinite chain structure with extended CuCu ladders (CuCu=2.49(4)–2.83(2) Å). The silver( I ) congener 4 is iso‐structural to 3 (average AgAg distance 3.11 Å), whereas the gold( I ) analogue 5 forms a Au⋅⋅⋅Au honeycomb network with PhCC pillars (AuAu=2.98(1)–3.26(1) Å). Solid‐state properties including photoluminescence, ν (CC) stretching frequencies and thermal stability of these polymeric systems are discussed in the context of the determined structures.