Synthesis, structures and aggregation-induced emissive properties of copper(I) complexes with 1H-imidazo[4,5-f][1,10]phenanthroline derivative and diphosphine as ligands

Heteroleptic Copper Photosensitizers: Why an Extended π‐System Does Not Automatically Lead to Enhanced Hydrogen Production

“…This might be explained by π–π interaction of one phenyl ring of the Xantphos ligand with the extended π‐system of the Me 2 dpq and the Me 2 dppz ligands, respectively. Interestingly, there are no stacked dimers observed in the solid‐state of complex 3 (Figure SI3 in the Supporting Information), which are typical for other coordination compounds containing such a planar dppz ligand …”

“…for 1:2 26.26 (11) pm) than that of CuÀN1 (for 1:2 08.4(3) pm) in all complexes.S tructuralc omparison of 1-3 (Table 1) does not show any major effect on the coordination geometry resulting from the addition of the extended p-system, which is in agree-ment with the results from NMRs pectroscopy.H owever, as malli ncrease in the P1-Cu-P2 angle can be recognized when comparing complexes 2 and 3 with 1.T his might be explained by p-p interaction of one phenylr ing of the Xantphos ligand with the extended p-systemo ft he Me 2 dpq and the Me 2 dppz ligands, respectively.I nterestingly,t here are no stacked dimers observed in the solid-state of complex 3 (Figure SI3 in the Supporting Information), which are typical for other coordination compounds containing such ap lanard ppz ligand. [36,48] In addition to X-ray analysis, density functional theory (DFT) calculations provide furtheri nsight into the structural characterization (for details, see the Supporting Information).F or example,t he calculated CuÀNb onds of 1-3 (e.g.,f or 1:2 13 pm, Ta ble SI2 and Figure SI4 in the Supporting Information) are increased comparedw ith the homoleptic complex 4 (204 pm), whereas the N-Cu-N bite angles of 1-3 (e.g.,f or 1:7 9.7 8)a re smaller than in 4 (82. 8 8), supporting the results from X-ray crystallography.T his behaviorc an be explained by the introductiono ft he sterically more demandingX antphos ligand.…”

The polynuclear complex Cu4I4py4 loaded in mesoporous silica: photophysics, theoretical investigation, and highly sensitive oxygen sensing application

“…[1][2][3][4] Because the d 10 electron configuration of Cu(I) does not require a pre-defined spatial arrangement of the ligands (L), the coordination sphere is generally determined by molecular mechanics and electrostatic factors. 1,5 Among the CuX halides (X = F, Cl, Br or I) mostly used as precursors for the synthesis of these complexes, Cu(I) iodide (CuI) offers the advantages of higher chemical stability in oxidizing atmosphere and higher quantum efficiencies. 1,5,6 The iodide ion presents four pairs of electrons on the last layer, and can thus coordinate with four Cu(I) ions.…”

“…1,5 Among the CuX halides (X = F, Cl, Br or I) mostly used as precursors for the synthesis of these complexes, Cu(I) iodide (CuI) offers the advantages of higher chemical stability in oxidizing atmosphere and higher quantum efficiencies. 1,5,6 The iodide ion presents four pairs of electrons on the last layer, and can thus coordinate with four Cu(I) ions. When the coordination number is reduced to two, there can be interactions between Cu(I) yielding the formation of "cluster" salts (CuI)n, which allow addition of Lewis base nitrogenated organic ligands (L).…”

The Role of Percent Volume Buried in the Characterization of Copper(I) Complexes for Lighting Purposes

“…Similarly, PLQY values obtained under air were chosen over values obtained under an Ar atmosphere where such differentiations were made [31]. A total of 100 compounds were found and their %V bur was calculated for the (NN), (PP) and (NN)(PP) units which are referred to as %V bur (NN), %V bur (PP) and %V bur (NN + PP) (Table S1, supporting information) [17][18][19][20][21][23][24][25][26][27][30][31][32][33][34][35][36][37][38][39][40][41][42][43][44][45][46][47][48]. All compounds contain bidentate diimine and bisphosphane ligands with one exception containing a bidentate diimine and two monodentate triphenylphosphano ligands (CCDC: 1558486) [45].…”