Opto-electronic properties of isomers of azobispyridine

被引：1
|
作者：
Dhiman, Angat [1 ]
Paras [1 ]
Ramachandran, C. N. [1 ]
机构：
[1] Indian Inst Technol Roorkee, Dept Chem, Roorkee 247667, Uttaranchal, India
来源：
CHEMICAL PHYSICS LETTERS | 2022年 / 805卷
关键词：
Azobenzene; Azobispyridine; pi stacking; Opto-electronic properties; Solar thermal fuels; TRANS ISOMERIZATION; AZOBENZENE; PHOTOSWITCH; SUPRAMOLECULES; COMPLEXES; MOLECULES; CONTINUUM; STACKING; ENERGIES; DESIGN;
D O I：
10.1016/j.cplett.2022.139956
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The density-functional theoretical studies are carried out to examine the isomerization and opto-electronic properties of heteroaryl azobispyridine derivatives (AzoPy). Among the isomers, trans o-o-AzoPy is the lowest in energy. Gibbs free energy change associated with the trans-cis isomerization of AzoPy via rotation is found to be 34-38 kcal/mol, whereas the reverse transformation occurs with a relatively low barrier (21-24 kcal/mol). The dipole moment and length of the molecule are significantly changed due to isomerization suggesting their use in molecular machines. In dimer, trans o-o-AzoPy adopts a parallel-slipped orientation. The charge carrier mobilities indicate the molecules as electron transporters.
引用
收藏
页数：8
相关论文
共 50 条
  • [31] Coupled opto-electronic oscillators
    Yao, XS
    Maleki, L
    Davis, L
    PROCEEDINGS OF THE 1998 IEEE INTERNATIONAL FREQUENCY CONTROL SYMPOSIUM, 1998, : 540 - 544
  • [32] Progress in opto-electronic devices
    Thylén, L
    Arve, P
    Hessmo, B
    Holmstrom, P
    Jänes, P
    Karlsson, A
    Qiu, M
    APOC 2003: ASIA-PACIFIC OPTICAL AND WIRELESS COMMUNICATIONS; MOBILE SERVICE AND APPLICATION, 2003, 5283 : XI - XVIII
  • [33] Progress in opto-electronic devices
    Thylén, L
    Arve, P
    Hessmo, B
    Holmström, P
    Jänes, P
    Karlsson, A
    Qiu, M
    APOC 2003: ASIA-PACIFIC OPTICAL AND WIRELESS COMMUNICATIONS; OPTICAL FIBERS AND PASSIVE COMPONENTS, 2003, 5279 : XVII - XXIV
  • [34] Modeling opto-electronic oscillators
    Levy, Etgar C.
    Horowitz, Moshe
    Menyuk, Curtis R.
    Okusaga, Olukayode
    Zhou, Weimin
    Carter, Gary M.
    2009 CONFERENCE ON LASERS AND ELECTRO-OPTICS AND QUANTUM ELECTRONICS AND LASER SCIENCE CONFERENCE (CLEO/QELS 2009), VOLS 1-5, 2009, : 2643 - +
  • [35] Opto-Electronic Engineering Contents
    光电工程, 2001, (06) : 76 - 80
  • [36] OPTO-ELECTRONIC CONTACT BREAKER
    SAMAIN, MD
    WIRELESS WORLD, 1981, 87 (1546): : 54 - 54
  • [37] OPTO-ELECTRONIC CONTACT BREAKER
    WATKINSON, JR
    WIRELESS WORLD, 1982, 88 (1562): : 69 - 69
  • [38] Development of opto-electronic material
    Ma, Bing
    Ren, Qian
    Guangxue Jishu/Optical Technique, 1995, (06): : 36 - 39
  • [39] A DIAMOND OPTO-ELECTRONIC SWITCH
    HO, PT
    LEE, CH
    STEPHENSON, JC
    CAVANAGH, RR
    OPTICS COMMUNICATIONS, 1983, 46 (3-4) : 202 - 204
  • [40] Progress in opto-electronic devices
    Thylén, L
    Arve, P
    Hessmo, B
    Holmström, P
    Jänes, P
    Karlsson, A
    Qiu, M
    APOC 2003: ASIA-PACIFIC OPTICAL AND WIRELESS COMMUNICATIONS; NETWORK ARCHITECTURES, MANAGEMENT, AND APPLICATIONS, PTS 1 AND 2, 2003, 5282 : XIX - XXVI
12345