scholarly journals High coordination number actinide-noble gas complexes; a computational study

2021 ◽  
Vol 23 (7) ◽  
pp. 4167-4177
Author(s):  
Lin Yang ◽  
Sophie Cooper ◽  
Nikolas Kaltsoyannis
Keyword(s):  
Coordination Number ◽  
Quantum Chemical ◽  
Computational Study ◽  
Noble Gas ◽  
High Coordination Number ◽  
Chemical Techniques ◽  
Computational Quantum ◽  
High Coordination

Computational quantum chemical techniques are used to explore charged actinide-noble gas compounds, including new Th–He systems with record coordination number.

Structure and stereochemistry in 'f-block' complexes of high coordination number. VII. The [M(unidentate X)2(unidentate Y)6] system: Crystal structure of hexaaquadichloroeuropium(III) chloride (a redetermination)

1983 ◽  
Vol 36 (3) ◽  
pp. 477 ◽  
Author(s):  
DL Kepert ◽  
JM Patrick ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Coordination Number ◽  
Title Compound ◽  
Chlorine Atoms ◽  
Coordination Environment ◽  
Twofold Axis ◽  
High Coordination Number ◽  
Europium Atom ◽  
High Coordination

The crystal structure of the title compound [EuCl2(OH2)2]Cl ('europium trichloride hexahydrate') has been redetermined from single-crystal diffractometer data at 295 K and refined to a residual of 0.040 for 1094 independent 'observed' reflections. Crystals are monoclinic, P2/n, a 9.659(3), b 6.529(2), c 7.936(4) �, β 93.67(4)�, Z 2. The europium atom lies on a crystallographic twofold axis, which passes between the two planes of a square-antiprismatic coordination environment in which the two chlorine atoms, on opposite faces, lie cis to each other. Eu-O distances range from 2.401(6) to 2.431(5) �; Eu-Cl is 2.774(2) �.

scholarly journals Organized Plasmonic Clusters with High Coordination Number and Extraordinary Enhancement in Surface-Enhanced Raman Scattering (SERS)

2012 ◽  
Vol 124 (51) ◽  
pp. 12860-12865 ◽  
Author(s):  
Nicolas Pazos-Perez ◽  
Claudia Simone Wagner ◽  
Jose M. Romo-Herrera ◽  
Luis M. Liz-Marzán ◽  
F Javier García de Abajo ◽  
...  
Keyword(s):  
Raman Scattering ◽  
Coordination Number ◽  
Surface Enhanced Raman Scattering ◽  
High Coordination Number ◽  
Surface Enhanced ◽  
Surface Enhanced Raman ◽  
Enhanced Raman Scattering ◽  
High Coordination

scholarly journals New theoretical insight into high coordination number complexes in actinides-centered borane

2020 ◽  
Author(s):  
Shuxian Hu ◽  
Peng Zhang ◽  
wenli zou ◽  
ping zhang
Keyword(s):  
Coordination Number ◽  
Relativistic Quantum ◽  
Structural Motif ◽  
Strong Interactions ◽  
Valuable Insight ◽  
Cage Structure ◽  
Boron Clusters ◽  
Geometric Difference ◽  
High Coordination Number ◽  
High Coordination

<p>The coordination number of a given element behaving to understand its chemistry shows a great interest, which greatly promotes the extension and development of new materials, but remains challenging. Herein we report a new record high coordination number (CN) for actinide established in the cage-like An(BH)<sub>24</sub> (An = Th to Cm) via using relativistic quantum chemistry methods. Analysis of U(BH)<sub>n</sub> (n = 1 to 24) confirms these series of systems being as geometric minima, with the BH as a ligand located in the first shell around the uranium. Contrast, global searches reveal the low CN half-cage structure for UB<sub>24</sub>, which is extended to the series of AnB<sub>24</sub> and prevails over the competing structural isomers such as cage. The intrinsic geometric difference for AnB<sub>24 </sub>and An(BH)<sub>24</sub> mainly arise from the B sp<sup>3</sup> hybridization in borane inducing strong interactions between An 5f6d7s hybrid orbitals and B 2p<sub>z</sub> orbitals in An(BH)<sub>24</sub> comparing to that of AnB<sub>24</sub>. The fundamental trend presents a valuable insight for future experimental endeavor searching for isolable complexes with high-coordination actinide and provides a new structural motif of boron clusters and nanostructures.<br></p>

Theoretical probing of twenty-coordinate actinide-centered boron molecular drums

2021 ◽  
Author(s):  
Juan Wang ◽  
Nai-Xin Zhang ◽  
Congzhi Wang ◽  
Qunyan Wu ◽  
Jianhui Lan ◽  
...  
Keyword(s):  
Coordination Number ◽  
Boron Clusters ◽  
High Coordination Number ◽  
Metal Doped ◽  
High Coordination

The exploration of metal-doped boron clusters has a great significance to design high coordination number (CN) compounds. Actinide-dopted boron clusters are probably candidates for achieving high CNs. In this work,...

High coordination number calamitic metallomesogens

1994 ◽  
Vol 6 (9) ◽  
pp. 699-701 ◽  
Author(s):  
Duncan W. Bruce
Keyword(s):  
Coordination Number ◽  
High Coordination Number ◽  
High Coordination

scholarly journals New theoretical insights into high-coordination-number complexes in actinides-centered borane

Nanoscale ◽  
2020 ◽  
Vol 12 (28) ◽  
pp. 15054-15065 ◽  
Author(s):  
Shu-Xian Hu ◽  
Peng Zhang ◽  
Wenli Zou ◽  
Ping Zhang
Keyword(s):  
Coordination Number ◽  
New Materials ◽  
High Coordination Number ◽  
High Coordination

The coordination number of a given element affects its behavior, and consequently, there is great interest in understanding the related chemistry, which could greatly promote the extension and development of new materials, but remains challenging.

Sign in / Sign up

Export Citation Format

Share Document