Poly[bis(mu4-benzene-1,2-dicarboxylato)di-mu3-isonicotinato-dilanthanum(III)].

Acta Crystallogr C

Department of Chemistry, Teachers College of Qingdao University, Qingdao, Shandong 266071, People's Republic of China.

Published: December 2009

In the title compound, [La(2)(C(8)H(4)O(4))(2)(C(6)H(4)NO(2))(2)](n), there are two crystallographically independent La centres, both nine-coordinated in tricapped trigonal prismatic coordination geometries by eight carboxylate O atoms and one pyridyl N atom. The La centres are linked by the carboxylate groups of isonicotinate (IN(-)) and benzene-1,2-dicarboxylate (BDC(2-)) ligands to form La-carboxylate chains, which are further expanded into a three-dimensional framework with nanometre-sized channels by La-N bonds. In the construction of the resultant architecture, in tricapped trigonal prismatic coordination geometries by eight carboxylate O atoms and one pyridyl N atom, while the BDC ligands link to four different cations each, displaying penta- and heptadentate chelating-bridging modes, respectively.

Download full-text PDF

Source
http://dx.doi.org/10.1107/S0108270109043856DOI Listing

Publication Analysis

Top Keywords

tricapped trigonal
8
trigonal prismatic
8
prismatic coordination
8
coordination geometries
8
geometries carboxylate
8
carboxylate atoms
8
atoms pyridyl
8
pyridyl atom
8
poly[bismu4-benzene-12-dicarboxylatodi-mu3-isonicotinato-dilanthanumiii] title
4
title compound
4

Similar Publications

Article Synopsis
  • BOMD simulations were conducted to explore the structure and dynamics of hydration shells around five trivalent lanthanide ions at room temperature, revealing complexities in accurately classifying their molecular geometry.
  • A cluster microsolvation approach was used, involving interactions of Ln ions (La, Nd, Gd, Er, Lu) with up to 27 water molecules, validating the effectiveness of the rSCAN-3c method in predicting average Ln-O distances and coordination numbers.
  • The study found that the first hydration shells displayed significant dynamism with varying coordination geometries, highlighting the efficiency of microsolvation models in replicating the solvation structures of these rare-earth ions and improving understanding of water dynamics around them.
View Article and Find Full Text PDF

Synthesis and characterization of a thermally stable triarylphosphine radical cation, [P(8-Br-CH)][BArF] ([][BArF], BArF = tetrakis(3,5-bis(trifluoromethyl)phenyl)borate), enabled by stabilization through -bromo-substituted naphthalenes, are described. Unlike previously reported phosphine radical cations that rely on sterically bulky substituents for stabilization, our approach leverages electronic stabilization via "through-space" radical delocalization. Single-crystal X-ray diffraction of [][BArF] reveals a tricapped tetrahedral geometry, resulting from the spatial proximity of the three bromine atoms to the phosphorus center, differentiated from the trigonal planar geometry observed in the previously reported triarylphosphine radical cations with sterically bulky substituents.

View Article and Find Full Text PDF

In the structure of the title salt, {[Ba(μ-CHNO)(μ-HO)(HO)]·HO} , the barium ion and all three oxygen atoms of the water mol-ecules reside on a mirror plane. The hydrogen atoms of the bridging water and the solvate water mol-ecules are arranged across a mirror plane whereas all atoms of the monodentate aqua ligand are situated on this mirror plane. The distorted ninefold coord-ination of the Ba ions is completed with four nitroso-, two carbonyl- and three aqua-O atoms at the distances of 2.

View Article and Find Full Text PDF

Structures of Th aqueous solutions: insights from AIMD and metadynamics simulations.

Phys Chem Chem Phys

September 2024

Department of Chemistry and Engineering Research Center of Advanced Rare-Earth Materials of Ministry of Education, Tsinghua University, Beijing 100084, China.

Solution chemistry of actinide ions is critical to understanding the solvation behaviors and hydrolysis process. Using tetravalent thorium ion Th as a representative example, we investigate the local structures and dynamic behaviors of hydrated Th ions by molecular dynamics (AIMD) simulations using the recently developed norm-conserving pseudopotentials and basis sets optimized for actinides (J.-B.

View Article and Find Full Text PDF

Seven new lanthanide coordination polymers, namely [Ln(cpt)HO)]n(Ln = La (), Pr (), Sm (), Eu (), Gd (), Dy (), and Er ()), which were synthesized under hydrothermal conditions using 4'-(4-(4-carboxyphenyloxy)phenyl)-4,2':6',4'-tripyridine (Hcpt) as the ligand. The crystal structures of these seven complexes were determined using single-crystal X-ray diffraction, and they were found to be isostructural, crystallizing in the triclinic P1- space group. The Ln(III) ions were nine-coordinated with tricapped trigonal prism coordination geometry.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!