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Volumn 47, Issue 12, 2008, Pages 5033-5035

Heteropolynuclear complexes of 3,5-dimethylpyrazolate [Pt2M 4(Me2pz)8] (M = Ag, Cu). Highly luminescent character of the triplet excited state based on mixed-metal cores

(10) Umakoshi, Keisuke a Kojima, Takashi a Saito, Keizo a Akatsu, Seiji a Onishi, Masayoshi a Ishizaka, Shoji b Kitamura, Noboru b Nakao, Yoshihide c Sakaki, Shigeyoshi c Ozawa, Yoshiki d

a NAGASAKI UNIVERSITY (Japan)

b HOKKAIDO UNIVERSITY (Japan)

c KYOTO UNIVERSITY (Japan)

d UNIVERSITY OF HYOGO (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 47049129699 PISSN: 00201669 EISSN: None Source Type: Journal
DOI: 10.1021/ic702310t Document Type: Article

Times cited : (47)

References (21)

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- -1): 1, 5690; 1′, 6130; 2, 2740; 2′, 3170; 3, 3060; 3′, 3060.
- -1): 1, 5690; 1′, 6130; 2, 2740; 2′, 3170; 3, 3060; 3′, 3060.

14
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- The optimized geometrical parameters for the excited states of 2 and 3 are summarized in Tables S11 and S12 in the Supporting Information with those for their ground states. Selected molecular orbitals of the triplet states for 2 and 3 by the B3LYP method are also depicted in Figures S18 and S19 in the Supporting Information.
- The optimized geometrical parameters for the excited states of 2 and 3 are summarized in Tables S11 and S12 in the Supporting Information with those for their ground states. Selected molecular orbitals of the triplet states for 2 and 3 by the B3LYP method are also depicted in Figures S18 and S19 in the Supporting Information.

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16
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- X-ray diffraction data were collected on a Quantum CCD area detector coupled with a Rigaku AFC7 diffractometer (1 and 2) and Rigaku RAXIS-RAPID imaging plate (3) with graphite-monochromated Mo Ka radiation (λ, 0.7107 Å, Crystal data for 1: C40H 60N16Pt2, monoclinic, space group C2/c (No. 15, a, 17.285(1) Å, b, 15.753(2) Å, c, 17.4782(3) Å, β, 100.3796(4)°, V, 4681.2(5) Å3, Z, 4, T, 296 K, Dcalcd, 1.639 g cm-3, μ(Mo Kα, 59.93 cm-1, R(Fo2, 0.057, Rw( Fo2, 0.069. Crystal data for 2: C 40H56Ag4N16Pt2, monoclinic, space group C2/c (No. 15, a, 20.831(2) Å, b, 12.924(2)
- 2) = 0.0968.

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18
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- 4 and the 250 molecular orbital for π*(Pt-Pt). Note that the 261 molecular orbital consist of the bonding combination of 6p of Pt atoms and 5p of Ag atoms.
- 4 and the 250 molecular orbital for π*(Pt-Pt). Note that the 261 molecular orbital consist of the bonding combination of 6p of Pt atoms and 5p of Ag atoms.

19
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21
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- Calculated emission energies: 2, 2.54 eV (488 nm); 3, 1.53 eV (810 nm), where structural relaxation was considered in the calculation.
- Calculated emission energies: 2, 2.54 eV (488 nm); 3, 1.53 eV (810 nm), where structural relaxation was considered in the calculation.

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