2,2′-Biphospholes: Building Blocks for Tuning the HOMO-LUMO Gap of π-Systems Using Covalent Bonding and Metal Coordination

被引:48
|
作者
Chen, Hui [1 ]
Delaunay, Wylliam [2 ]
Yu, Liujian [1 ]
Joly, Damien [2 ]
Wang, Zuoyong [1 ]
Li, Jin [1 ]
Wang, Zisu [1 ]
Lescop, Christophe [2 ]
Tondelier, Denis [4 ]
Geffroy, Bernard [3 ]
Duan, Zheng [1 ]
Hissler, Muriel [2 ]
Mathey, Francois [1 ,5 ]
Reau, Regis [2 ]
机构
[1] Zhengzhou Univ, Int Phosphorus Lab, Dept Chem, Zhengzhou 450001, Peoples R China
[2] Univ Rennes 1, CNRS, F-35042 Rennes, France
[3] CEA Saclay, Lab Chim Surfaces & Interfaces, IRAMIS, SPCSI, F-91191 Gif Sur Yvette, France
[4] Ecole Polytech, Lab Phys Interfaces & Couches Minces, CNRS UMR 7647, F-91128 Palaiseau, France
[5] Nanyang Technol Univ, CBC SPMS, Singapore 637371, Singapore
关键词
p conjugation; phosphorous heterocycles; optical properties; semiconductors; synthetic methods; CONJUGATED SYSTEMS; MACROCYCLES; THIOPHENE;
D O I
10.1002/anie.201105924
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A new angle: The insertion of a 2,2′-biphosphole subunit into π-conjugated systems offers a new way to control the HOMO-LUMO gap. Tuning of the dihedral angle (θ) between the two phosphorous heterocycles, either by metal coordination or covalent bonding through the P substitution can lead to control of the band gap. These new π-conjugated systems can be used as emitting materials in white organic light-emitting devices (WOLEDs). © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
引用
收藏
页码:214 / 217
页数:4
相关论文
共 50 条
  • [11] Molecular geometry, NBO analysis, Hyperpolarizability and HOMO-LUMO energies of 2-azido-1-phenylethanone using Quantum chemical calculations
    Prashanth, J.
    Ramesh, G.
    Naik, J. Laxman
    Ojha, Jai Kishan
    Reddy, B. Venkatram
    MATERIALS TODAY-PROCEEDINGS, 2016, 3 (10) : 3761 - 3769
  • [12] Unique Ultralow 18π-Trannulenyl HOMO-LUMO Energy Gap of Photostable Emerald-Green D3d-2-Methylmalonato[60]fullerenes
    Popov, Alexey A.
    Jeon, Seaho
    Senyavin, Vladimir M.
    Dunsch, Lothar
    Maragani, Satyanarayana
    Wang, Min
    Tan, Loon-Seng
    Chiang, Long Y.
    JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2011, 2 (18): : 2296 - 2299
  • [13] 2,5-Di(2-pyridyl)phospholes:: model compounds for the engineering of π-conjugated donor-acceptor co-oligomers with a chemically tunable HOMO-LUMO gap
    Hay, C
    Le Vilain, D
    Deborde, V
    Toupet, L
    Reau, R
    CHEMICAL COMMUNICATIONS, 1999, (04) : 345 - 346
  • [14] Structural, Hirshfeld Surface and HOMO-LUMO gap analysis of five co-crystals of 2-amino-5-chloropyridine or 2-amino-bromopyridine with isomeric methylbenzoic acids
    Rosli, Mohd Mustaqim
    Khalib, Nuridayanti Che
    Thanigaimani, Kaliyaperumal
    Arshad, Suhana
    Razak, Ibrahim Abdul
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS, 2022, 237 (6-7): : 249 - 258
  • [15] Driving the Emission Towards Blue by Controlling the HOMO-LUMO Energy Gap in BF2-Functionalized 2-(Imidazo[1,5-a]pyridin-3-yl)phenols
    Colombo, Gioele
    Attilio Ardizzoia, G.
    Furrer, Julien
    Therrien, Bruno
    Brenna, Stefano
    CHEMISTRY-A EUROPEAN JOURNAL, 2021, 27 (48) : 12380 - 12387
  • [16] MOLECULAR GEOMETRY, HOMO-LUMO ANALYSIS AND MULLIKEN CHARGE DISTRIBUTION OF 2,6-DICHLORO-4-FLUORO PHENOL USING DFT AND HF METHOD
    Surbhi
    Shalya, Deeya
    Kumar, Sarvendra
    EAST EUROPEAN JOURNAL OF PHYSICS, 2023, (01): : 205 - 209
  • [18] Spectral investigations, NLO, NBO, HOMO-LUMO, MEP, ADME parameters of 2-methyl-p-benzoquinone using quantum computations and CADD technique
    Thanmayalaxmi, D.
    Suvitha, A.
    Kumar, Akumalla Sanath
    Gugan, K.
    Maidur, Shivraj R.
    PROCEEDINGS OF THE INTERNATIONAL CONFERENCE ON ADVANCED MATERIALS (ICAM 2019), 2019, 2162
  • [19] Fine Tuning of the HOMO-LUMO Gap of 6-(Thiophen-2-yl) indolizino[3,2-c]quinolines and their Self-Assembly to Form Fluorescent Organic Nanoparticles: Rational Design and Theoretical Calculations
    Park, Jaehyun
    Lee, Ji Hye
    Lim, Bumhee
    Lee, Na Keum
    Sim, Gyuseok
    Ryu, Seol
    Kim, Ikyon
    Hwang, Hyonseok
    Lee, Jeeyeon
    CHEMPHOTOCHEM, 2021, 5 (01) : 58 - 67
  • [20] 2,2′:6′,2"-Terpyridine metal complexes as building blocks for extended functional metallo-supramolecular assemblies and polymers
    Schubert, US
    Eschbaumer, C
    Andres, P
    Hofmeier, H
    Weidl, CH
    Herdtweck, E
    Dulkeith, E
    Morteani, A
    Hecker, NE
    Feldmann, J
    SYNTHETIC METALS, 2001, 121 (1-3) : 1249 - 1252