1-Alkyl-3-methylimidazolium belong to superalkalis

被引:2
作者
Srivastava, Ambrish Kumar [1 ]
机构
[1] Deen Dayal Upadhyaya Gorakhpur Univ, Dept Phys, Civil Lines, Gorakhpur 273009, Uttar Pradesh, India
关键词
Superalkali; Imidazolium; Ionic liquid; Alkyl chain; Density functional calculations; IONIC LIQUID-CRYSTALS; ALKYL CHAIN-LENGTH; CLUSTERS; DENSITY; IMIDAZOLIUM; TEMPERATURE; PREDICTION; ALKALIDES; CATIONS; DESIGN;
D O I
10.1016/j.cplett.2021.138770
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
Superalkalis are molecules having lower ionization energy than alkali atoms. These molecules act as powerful reducing agents and building blocks of compounds with several interesting applications. Herein, we reveal the superalkali behavior of 1-alkyl-3-methylimidazolium (nMIM) series of organic compounds. We systematically present the way to reduce their ionization energies and discuss the effect of the length of the alkyl chain. The findings of this work should apply to other heterocyclic systems such as pyridinium, pyrrolidinium, piperidinium, etc.
引用
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页数:4
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共 36 条
  • [1] [Anonymous], 2018, INT J QUANTUM CHEM
  • [2] DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR
    BECKE, AD
    [J]. PHYSICAL REVIEW A, 1988, 38 (06): : 3098 - 3100
  • [3] Imidazolium decyl sulfate: a very promising selfmade ionic hydrogel
    Cabeza, Oscar
    Rilo, Esther
    Segade, Luisa
    Dominguez-Perez, Montserrat
    Garcia-Garabal, Sandra
    Ausin, David
    Lopez-Lago, Elena
    Miguel Varela, Luis
    Vilas, Miguel
    Verdia, Pedro
    Tojo, Emilia
    [J]. MATERIALS CHEMISTRY FRONTIERS, 2018, 2 (03) : 505 - 513
  • [4] Inverse sodium hydride: Density functional theory study of the large nonlinear optical properties
    Chen, W
    Li, ZR
    Wu, D
    Li, Y
    Li, RY
    Sun, CC
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2005, 109 (12) : 2920 - 2924
  • [5] MOLECULAR ENERGY-LEVELS OF AZOLES - STUDY BY PHOTOELECTRON SPECTROSCOPY AND AB-INITIO MOLECULAR-ORBITAL CALCULATIONS
    CRADOCK, S
    FINDLAY, RH
    PALMER, MH
    [J]. TETRAHEDRON, 1973, 29 (14) : 2173 - 2181
  • [6] An Advanced Lithium-Air Battery Exploiting an Ionic Liquid-Based Electrolyte
    Elia, G. A.
    Hassoun, J.
    Kwak, W. -J.
    Sun, Y. -K.
    Scrosati, B.
    Mueller, F.
    Bresser, D.
    Passerini, S.
    Oberhumer, P.
    Tsiouvaras, N.
    Reiter, J.
    [J]. NANO LETTERS, 2014, 14 (11) : 6572 - 6577
  • [7] Frisch M., 2009, Gaussian 09, V201
  • [8] Organo-Zintl Clusters [P7R4]: A New Class of Superalkalis
    Giri, Santanab
    Reddy, G. N.
    Jena, Puru
    [J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2016, 7 (05): : 800 - 805
  • [9] Superalkalis and Superhalogens As Building Blocks of Supersalts
    Giri, Santanab
    Behera, Swayamprabha
    Jena, Puru
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2014, 118 (03) : 638 - 645
  • [10] DVM X-ALPHA CALCULATIONS ON THE ELECTRONIC-STRUCTURE OF SUPER-ALKALI CATIONS
    GUTSEV, GL
    BOLDYREV, AI
    [J]. CHEMICAL PHYSICS LETTERS, 1982, 92 (03) : 262 - 266