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canoe8013

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[求助] 求助AMR798-799是否检索。急用，谢谢！

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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fallsoft

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canoe8013: 金币+10, ★★★★★最佳答案 2013-11-14 10:40:19
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.
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