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[求助]
求助AMR798-799是否检索。急用，谢谢！
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求助AMR798-799是否检索。急用，谢谢！ Effect of ligands on the photoluminescence performance of Ir(III) complexes: A theoretical exploration Advanced Materials Research Vols. 798-799 (2013) pp 219-222 |
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canoe8013: 金币+10, ★★★★★最佳答案 2013-11-14 10:40:19
canoe8013: 金币+10, ★★★★★最佳答案 2013-11-14 10:40:19
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Accession number: 20134416917853 Title: Effect of ligands on the photoluminescence performance of Ir(III) complexes: A theoretical exploration Authors: Zhang, Jian Po1 ; Jin, Li1 ; Jin, Xing1 ; Sun, Xiu Yun1 ; Bai, Fu Quan2 Author affiliation: 1 School of Chemical and Pharmaceutical Engineering, Jilin Institute of Chemical Technology, Jilin 132022, China 2 State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin UniVersity, Changchun 130023, China Corresponding author: Sun, X. Y. (zhangjp725@126.com) Source title: Advanced Materials Research Abbreviated source title: Adv. Mater. Res. Volume: 798 Monograph title: Advances in Applied Science and Industrial Technology Issue date: 2013 Publication year: 2013 Pages: 219-222 Language: English ISSN: 10226680 ISBN-13: 9783037858417 Document type: Conference article (CA) Conference name: 2013 International Forum on Materials Science and Industrial Technology, IFMSIT 2013 Conference date: August 30, 2013 - September 1, 2013 Conference location: Qingdao, China Conference code: 100412 Sponsor: Education Department of Shandong Province; Qingdao University; Qingdao Science Culture Communication Co., Ltd; Test and analysis of association of Qingdao; Faculty of Chemical Engineering Universiti Teknologi Mara; et al Publisher: Trans Tech Publications Ltd, Kreuzstrasse 10, Zurich-Durnten, CH-8635, Switzerland Abstract: A series of iridium(III) complexes (C^N)2Ir(Pic) (C^N = Phi(1), Ppi(2), Mpfpi(3), and Cpfpi(4) have been investigated theoretically to explore their electronic structures and spectroscopic properties. The calculate bond lengths of Ir-N and Ir-O in the ground state agree well with the corresponding experimental results. At the TD-DFT and PCM levels, 1-4 give rise to absorptions at 359, 360, 348, and 335 nm and phosphorescent emissions at 454, 469, 441, and 425 nm, respectively. The transitions of 1-4 are all attributed to { [d(Ir)+π(C^N)]&rarr [π*(C^N) or π*(Pic)]} charge transfer. It is shown that the emissions are significantly dominated by the metal participating in the frontier molecular orbitals and affected by the C^N ligands. © (2013) Trans Tech Publications, Switzerland. Number of references: 5 Main heading: Ligands Controlled terms: Electronic structure - Iridium - Molecular orbitals Uncontrolled terms: Frontier molecular orbitals - Ir complexes (III) - Iridium complex - OLED - PBE0 functional - Phosphorescent emission - Photoluminescence performance - Spectroscopic property Classification code: 547.1 Precious Metals - 801.4 Physical Chemistry - 931.1 Mechanics DOI: 10.4028/www.scientific.net/AMR.798-799.219 Database: Compendex Compilation and indexing terms, © 2013 Elsevier Inc. |
2楼2013-11-14 10:20:32
