Complex Amidoboranes M2[M1(NH2BH3)4] (M1 = Al, Ga; M2 = Li, Na, K, Rb, Cs)

被引：7

作者：

Chernysheva, A. M. ^{[1
]}

Shelyganov, P. A. ^{[1
]}

Kazakov, I. V. ^{[1
]}

Timoshkin, A. Y. ^{[1
]}

机构：

[1] St Petersburg State Univ, Univ Skaya Nab 7-9, St Petersburg 199034, Russia

来源：

RUSSIAN JOURNAL OF GENERAL CHEMISTRY | 2017年 / 87卷 / 04期

基金：

俄罗斯科学基金会;

关键词：

amidoboranes; complex amidoboranes; quantum-chemical calculations; NMR; HYDROGEN RELEASE; ALKALI;

D O I：

10.1134/S1070363217040016

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Structural, spectral, and thermodynamic characteristics of complex amidoboranes M-2[M-1(NH2BH3)(4)] (M-1 = Al, Ga; M-2 = Li, Na, K, Rb, Cs) were calculated by the B3LYP/def2-SVPD quantum-chemical method. The procedure for the synthesis of these compounds by reactions of alkali metal amidoboranes with aluminum and gallium chlorides was suggested and experimentally tested. Reaction products were characterized by the NMR and IR spectroscopy and X-ray phase analysis.

引用

页码：665 / 669

页数：5

共 22 条

[1] DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].

BECKE, AD .

JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652

[2]

Brauer G, 1980, HDB PRAPARATIVEN ANO

[3] Development of amidoboranes for hydrogen storage [J].

Chua, Yong Shen ;

Chen, Ping ;

Wu, Guotao ;

Xiong, Zhitao .

CHEMICAL COMMUNICATIONS, 2011, 47 (18) :5116-5129

[4] Potassium(I) Amidotrihydroborate: Structure and Hydrogen Release [J].

Diyabalanage, Himashinie V. K. ;

Nakagawa, Tessui ;

Shrestha, Roshan P. ;

Semelsberger, Troy A. ;

Davis, Benjamin L. ;

Scott, Brian L. ;

Burrell, Anthony K. ;

David, William I. F. ;

Ryan, Kate R. ;

Jones, Martin Owen ;

Edwards, Peter P. .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2010, 132 (34) :11836-11837

[5] A Composite of Complex and Chemical Hydrides Yields the First Al-Based Amidoborane with Improved Hydrogen Storage Properties [J].

Dovgaliuk, Iurii ;

Jepsen, Lars H. ;

Safin, Damir A. ;

Lodziana, Zbigniew ;

Dyadkin, Vadim ;

Jensen, Torben R. ;

Devillers, Michel ;

Filinchuk, Yaroslav .

CHEMISTRY-A EUROPEAN JOURNAL, 2015, 21 (41) :14562-14570

[6]

Fialkov Yu. Ya., 1985, ELEKTROVYDELENIE MET, P171

[7] Substantial emission of NH3 during thermal decomposition of sodium amidoborane, NaNH2BH3 [J].

Fijakowski, Karol J. ;

Grochala, Wojciech .

JOURNAL OF MATERIALS CHEMISTRY, 2009, 19 (14) :2043-2050

[8]

Frisch M.J., 2016, Gaussian, V16

[9]

Hawthorne M. F., 2010, FINAL REPORT

[10] Efficient and highly rapid hydrogen release from ball-milled 3NH3BH3/MMgH3 (M = Na, K, Rb) mixtures at low temperatures [J].

Kang, Xiang-Dong ;

Luo, Jun-Hong ;

Wang, Ping .

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2012, 37 (05) :4259-4266

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