All-boron aromatic clusters as potential new inorganic ligands and building blocks in chemistry

被引:589
作者
Alexandrova, Anastassia N.
Boldyrev, Alexander I.
Zhai, Hua-Jin
Wang, Lai-Sheng
机构
[1] Washington State Univ, Dept Phys, Richland, WA 99354 USA
[2] Utah State Univ, Dept Chem & Biochem, Logan, UT 84322 USA
[3] Pacific NW Natl Lab, WR Wiley Environm Mol Sci Lab, Richland, WA 99352 USA
[4] Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA
基金
美国国家科学基金会;
关键词
boron clusters; multiple aromaticity; multiple antiaromaticity; conflicting aromaticity; photoelectron spectroscopy;
D O I
10.1016/j.ccr.2006.03.032
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
Small boron clusters as individual species in the gas phase are reviewed. While the family of known boron compounds is rich and diverse, a large body of hitherto unknown chemistry of boron has been recently identified. Free boron clusters have been recently characterized using photoelectron spectroscopy and ab initio calculations, which have established the planar or quasi-planar shapes of small boron clusters for the first time. This has surprised the scientific community, as the chemistry of boron has been diversely featured by three-dimensional structures. The planarity of the species has been further elucidated on the basis of multiple aromaticity, multiple antiaromaticity, and conflicting aromaticity. Although mostly observed in the gas phase, pure boron clusters are promising molecules for coordination chemistry as potential new ligands and for materials science as new building blocks. The use of pure boron species as novel ligands has commenced, suggesting many new chemistries are ahead of us. (c) 2006 Elsevier B.V. All rights reserved.
引用
收藏
页码:2811 / 2866
页数:56
相关论文
共 200 条
[1]  
Abdurahman A, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.155423
[2]   Aromaticity of planar boron clusters confirmed [J].
Aihara, J ;
Kanno, H ;
Ishida, T .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2005, 127 (38) :13324-13330
[3]   3-DIMENSIONAL AROMATICITY OF POLYHEDRAL BORANES [J].
AIHARA, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (11) :3339-3342
[4]   B13+ is highly aromatic [J].
Aihara, J .
JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (22) :5486-5489
[5]   Photoelectron spectra of aluminum cluster anions:: Temperature effects and ab initio simulations [J].
Akola, J ;
Manninen, M ;
Häkkinen, H ;
Landman, U ;
Li, X ;
Wang, LS .
PHYSICAL REVIEW B, 1999, 60 (16) :11297-11300
[6]   Photoelectron spectroscopy and ab initio study of the doubly antiaromatic B62- dianion in the LiB6- cluster -: art. no. 054313 [J].
Alexandrova, AN ;
Boldyrev, AI ;
Zhai, HJ ;
Wang, LS .
JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (05)
[7]   Arachno, nido, and closo aromatic isomers of the Li6B6H6 molecule [J].
Alexandrova, AN ;
Boldyrev, AI .
INORGANIC CHEMISTRY, 2004, 43 (12) :3588-3592
[8]   Electronic structure, isomerism, and chemical bonding in B7- and B7 [J].
Alexandrova, AN ;
Boldyrev, AI ;
Zhai, HJ ;
Wang, LS .
JOURNAL OF PHYSICAL CHEMISTRY A, 2004, 108 (16) :3509-3517
[9]   Search for the Lin0/+1/-1 (n=5-7) lowest-energy structures using the ab initio Gradient Embedded Genetic Algorithm (GEGA).: Elucidation of the chemical bonding in the lithium clusters [J].
Alexandrova, AN ;
Boldyrev, AI .
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2005, 1 (04) :566-580
[10]   Structure of the NaxClx+1- (x=1-4) clusters via ab initio genetic algorithm and photoelectron spectroscopy [J].
Alexandrova, AN ;
Boldyrev, AI ;
Fu, YJ ;
Yang, X ;
Wang, XB ;
Wang, LS .
JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (12) :5709-5719