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65449187543
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CCDC 701750 (3), 701751 (4), 701752 (5) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data-request/cil.
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CCDC 701750 (3), 701751 (4), 701752 (5) contain the supplementary crystallographic data for this paper. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data-request/cil.
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65449136330
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max= 544 nm,Φ=0.08) in the solid state.
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max= 544 nm,Φ=0.08) in the solid state.
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15
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65449129619
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The shortening of Au · · ·Cu and Cu · · · Cu distances and concomitant elongation of Pt · · · Pt distance are expected in the excited states of 4, while the elongation of Pt-N distances in one of the two Pt atoms in 5 is expected see Table S6 and Figure S15 in the Supporting Information
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The shortening of Au · · ·Cu and Cu · · · Cu distances and concomitant elongation of Pt · · · Pt distance are expected in the excited states of 4, while the elongation of Pt-N distances in one of the two Pt atoms in 5 is expected (see Table S6 and Figure S15 in the Supporting Information).
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65449181998
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Here we define the term MMLCT as the charge-transfer transition from σ (Pt-Pt)/Cu(d) to ligand π* orbitals. A (Pt 2→Pt2Au2Cu2) transition means that the excitations occur from the σ* (Pt-Pt, σ (Pt-Pt)/Cu(d) and σ (Pt-Pt)/Au(d) orbitals to the bonding orbital of the Pt2Au2Cu2 moiety. Similarly, the (Cu(d)→Pt2Au2Cu2) transition means that the excitation occurs from the dz2(Cu) orbital to the bonding orbital of the Pt2Au2Cu2 moiety: see the 261 MO for the Pt2Au2Cu2, the 260 MO for the dz2Cu, the 259 MO for σ (Pt-Pt)/Cu(d, the 254 MO for σ (Pt-Pt)/Au(d, and the 252 MO for σ* Pt-Pt, Note that the 261 MO consists of the bonding combination of 6p of Pt, 6p of Au and 4p of Cu atoms
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2Cu), the 259 MO for σ (Pt-Pt)/Cu(d), the 254 MO for σ (Pt-Pt)/Au(d), and the 252 MO for σ* (Pt-Pt). Note that the 261 MO consists of the bonding combination of 6p of Pt, 6p of Au and 4p of Cu atoms.
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65449175316
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Calculated emission energies: 4, 1.75 e V (708 nm); 5, 2.26 eV (549 nm); structural relaxation was considered in the calculation.
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Calculated emission energies: 4, 1.75 e V (708 nm); 5, 2.26 eV (549 nm); structural relaxation was considered in the calculation.
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