Electron transfer in complexes of BII cations with organic π-acceptors: a combined experimental and quantum-chemical study

被引:7
作者
Vogler, Daniel [1 ]
Wolf, Nina [1 ]
Kaifer, Elisabeth [1 ]
Himmel, Hans-Joerg [1 ]
机构
[1] Heidelberg Univ, Anorgan Chem Inst, Neuenheimer Feld 270, D-69120 Heidelberg, Germany
关键词
DIBORANE(4) COMPOUNDS; DIBORON(4) COMPOUNDS; NUCLEOPHILIC BORON; CRYSTAL-STRUCTURE; RING-EXPANSION; REDUCTION; HYDRIDE; ENERGY; APPROXIMATION; REACTIVITY;
D O I
10.1039/c9dt03151k
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
Due to their combined Lewis acidity and electron-donor capability, B-II cations exhibit an interesting reactivity, which is almost unexplored so far. In this work, we compare the reduction in a dicationic diborane of a series of vicinal diones with different redox potentials, namely 3,5-di-tert-butylbenzoquinone, 3,4,5,6-tetrachlorobenzoquinone, 1,2-naphthalene-dione, 9,10-phenanthrene-dione, 2,2 '-dichlorobenzil, benzil and 1,2-acenaphthylene-dione. The experimental work is complemented by quantum-chemical calculations, illuminating the electron-transfer step in the reactions.
引用
收藏
页码:14354 / 14366
页数:13
相关论文
共 65 条
[1]   ELECTRONIC-STRUCTURE CALCULATIONS ON WORKSTATION COMPUTERS - THE PROGRAM SYSTEM TURBOMOLE [J].
AHLRICHS, R ;
BAR, M ;
HASER, M ;
HORN, H ;
KOLMEL, C .
CHEMICAL PHYSICS LETTERS, 1989, 162 (03) :165-169
[2]  
Akiyama S., 2019, ANGEW CHEM, V131, P11932
[3]   ENERGY-ADJUSTED ABINITIO PSEUDOPOTENTIALS FOR THE 2ND AND 3RD ROW TRANSITION-ELEMENTS [J].
ANDRAE, D ;
HAUSSERMANN, U ;
DOLG, M ;
STOLL, H ;
PREUSS, H .
THEORETICA CHIMICA ACTA, 1990, 77 (02) :123-141
[4]  
[Anonymous], 2017, ORCA V4 4 1
[5]  
[Anonymous], 2015, Angew. Chem
[6]  
[Anonymous], 2016, APEX3 SOFTW PACK
[7]  
[Anonymous], 2018, ANGEW CHEM, V130, P6217
[8]  
[Anonymous], 1997, DIAMOND V3 0
[9]   Simple solution-phase syntheses of tetrahalodiboranes(4) and their labile dimethylsulfide adducts [J].
Arrowsmith, Merle ;
Boehnke, Julian ;
Braunschweig, Holger ;
Deissenberger, Andrea ;
Dewhurst, Rian D. ;
Ewing, William C. ;
Hoerl, Christian ;
Mies, Jan ;
Muessig, Jonas H. .
CHEMICAL COMMUNICATIONS, 2017, 53 (59) :8265-8267
[10]   Lowering the Reduction Potential of a Boron Compound by Means of the Substituent Effect of the Boryl Group: One-Electron Reduction of an Unsymmetrical Diborane(4) [J].
Asakawa, Hiroki ;
Lee, Ka-Ho ;
Furukawa, Ko ;
Lin, Zhenyang ;
Yamashita, Makoto .
CHEMISTRY-A EUROPEAN JOURNAL, 2015, 21 (11) :4267-4271