Lone pair⋯π interaction versus σ-hole appearance in metal-bonded halogens

CrystEngComm ◽  
2019 ◽  
Vol 21 (18) ◽  
pp. 2929-2939 ◽  
Author(s):  
Hamid Reza Khavasi ◽  
Narjes Rahimi
Keyword(s):  
Crystal Structures ◽  
Coordination Compounds ◽  
Lone Pair ◽  
Interaction Versus

Three complexes of N-(2,5-diluorophenyl)-2-pyrazine carboxamide and ZnX2 have been synthesized. The crystal structures reveal that in all three coordination compounds, metal-bound halides have interacted with π systems through a negative electrostatic region.

Ψ-Polyhedral symbols for coordination geometries of lead(II) with a stereochemically active lone pair

2021 ◽  
Vol 77 (8) ◽  
Author(s):  
Seik Weng Ng
Keyword(s):  
Crystal Structures ◽  
Metal Atom ◽  
Coordination Compounds ◽  
Lone Pair

Because an IUCr/IUPAC-designated set of letters/numbers identifies the configuration of the atoms linked to the PbII atom in its coordination compounds, a Ψ prefix before such as a polyhedral symbol provides useful information when its lone pair is stereochemically active. Such notation is especially relevant when the metal atom is connected to eight or more atoms regardless of whether the lone pair is active or inert. The polyhedral symbols for the crystal structures in some 50 articles published after 2000 are reported here as the original studies did not expressly identify coordination geometries.

scholarly journals Intermolecular interaction energies in transition metal coordination compounds

CrystEngComm ◽  
2015 ◽  
Vol 17 (48) ◽  
pp. 9300-9310 ◽  
Author(s):  
Andrew G. P. Maloney ◽  
Peter A. Wood ◽  
Simon Parsons
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Crystal Structures ◽  
Intermolecular Interaction ◽  
Coordination Compounds ◽  
Metal Coordination ◽  
Interaction Energies

The PIXEL method has been parameterised and validated for transition metals, extending its applicability from ~40% to ~85% of all published crystal structures.

The Through-Bond Interaction of a Sulfur Lone Pair with Oxygenated Substituents in the Thiacyclohexane Framework

2005 ◽  
Vol 58 (7) ◽  
pp. 531
Author(s):  
Laura Andrau ◽  
Jonathan M. White
Keyword(s):  
Low Temperature ◽  
Crystal Structures ◽  
Bond Distance ◽  
Lone Pair ◽  
X Ray ◽  
Ester Derivative ◽  
Bond Interaction ◽  
Derivatives Of ◽  
Electron Demand

Low-temperature X-ray crystal structures were determined on a range of derivatives of 4-thiacyclohexanol 5a of varying electron demand with a view to finding evidence for a through-bond interaction between the sulfur lone pair and the oxygenated substituent. In contrast to earlier suggestions, plots of C–OR bond distance versus pKa (ROH) showed that any interaction between the sulfur and the OR group is unlikely to be of a through-bond origin. Furthermore, unimolecular solvolysis rate measurements on the nosylate ester derivative 5g showed that the sulfur actually retards the reaction slightly in comparison with the corresponding sulfur-free analogue 6.

Synthesis, Crystal Structures, and Thermal Properties of New Zinc(II) Thiocyanato Coordination Compounds

2010 ◽  
Vol 636 (15) ◽  
pp. 2595-2601 ◽  
Author(s):  
Gaurav Bhosekar ◽  
Jan Boeckmann ◽  
Inke Jeß ◽  
Christian Näther
Keyword(s):  
Thermal Properties ◽  
Crystal Structures ◽  
Coordination Compounds

Synthesis, crystal structures and magnetism of two coordination compounds constructed from 2,5-disulfonylterephthalate ligand

2013 ◽  
Vol 405 ◽  
pp. 222-227 ◽  
Author(s):  
Qing-Yan Liu ◽  
Wei-Lu Xiong ◽  
Wen-Yan Xu ◽  
Yu-Ling Wang ◽  
Xin-Wen Peng ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Coordination Compounds

Hexa- and polynuclear copper(II) coordination compounds based on the carbonato bridge: Synthesis, crystal structures and magnetic properties

2008 ◽  
Vol 11 (2) ◽  
pp. 179-185 ◽  
Author(s):  
Sujittra Youngme ◽  
Nanthawat Wannarit ◽  
Tawun Remsungnen ◽  
Narongsak Chaichit ◽  
Gerard A. van Albada ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Crystal Structures ◽  
Coordination Compounds

Two new energetic coordination compounds based on tetrazole-1-acetic acid: syntheses, crystal structures and their synergistic catalytic effect for the thermal decomposition of ammonium perchlorate

RSC Advances ◽  
2016 ◽  
Vol 6 (40) ◽  
pp. 33332-33338 ◽  
Author(s):  
Li Kang ◽  
Zhixian Wei ◽  
Jiangfeng Song ◽  
Yuanyuan Qu ◽  
Yale Wang
Keyword(s):  
Thermal Decomposition ◽  
Acetic Acid ◽  
Crystal Structures ◽  
Ammonium Perchlorate ◽  
Coordination Compounds ◽  
Catalytic Effect ◽  
Dsc Curves

The DSC curves of the AP thermal decomposition in the absence and presence of compounds 1, 2 or their mixtures.

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