Solid-State Structures of Double-Long-Chain Imidazolium Ionic Liquids: Influence of Anion Shape on Cation Geometry and Crystal Packing

2011 ◽  
Vol 11 (5) ◽  
pp. 1974-1988 ◽  
Author(s):  
Xinjiao Wang ◽  
Carola S. Vogel ◽  
Frank W. Heinemann ◽  
Peter Wasserscheid ◽  
Karsten Meyer
Keyword(s):  
Ionic Liquids ◽  
Solid State ◽  
Crystal Packing ◽  
Imidazolium Ionic Liquids ◽  
Solid State Structures ◽  
Long Chain

CO2 and CH4 Sorption by Solid-State Ammonium and Imidazolium Ionic Liquids

2020 ◽  
Vol 35 (1) ◽  
pp. 599-609
Author(s):  
Lanyun Wang ◽  
Huilong Xie ◽  
Xuanxuan Huang ◽  
Yongliang Xu ◽  
Tingxiang Chu ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Solid State ◽  
Imidazolium Ionic Liquids

scholarly journals The Influence of Halogenated Hypercarbon on Crystal Packing in the Series of 1-Ph-2-X-1,2-dicarba-closo-dodecaboranes (X = F, Cl, Br, I)

Molecules ◽  
2020 ◽  
Vol 25 (5) ◽  
pp. 1200
Author(s):  
Miroslav Havránek ◽  
Maksim A. Samsonov ◽  
Josef Holub ◽  
Zdeňka Růžičková ◽  
Ladislav Drož ◽  
...  
Keyword(s):  
Solid State ◽  
Electrostatic Potential ◽  
Crystal Packing ◽  
Heat Of Formation ◽  
Solid State Structures

Although 1-Ph-2-X-closo-1,2-C2B10H10 (X = F, Cl, Br, I) derivatives had been computed to have positive values of the heat of formation, it was possible to prepare them. The corresponding solid-state structures were computationally analyzed. Electrostatic potential computations indicated the presence of highly positive σ-holes in the case of heavy halogens. Surprisingly, the halogen•••π interaction formed by the Br atom was found to be more favorable than that of I.

A theoretical insight into non-covalent supramolecular interactions in the solid state structures of two octahedral iron(iii) complexes

CrystEngComm ◽  
2020 ◽  
Vol 22 (35) ◽  
pp. 5731-5742 ◽  
Author(s):  
Tanmoy Basak ◽  
Antonio Frontera ◽  
Shouvik Chattopadhyay
Keyword(s):  
Solid State ◽  
Dft Calculations ◽  
Crystal Packing ◽  
Supramolecular Interactions ◽  
Interaction Energies ◽  
Π Interactions ◽  
Solid State Structures ◽  
Theoretical Insight ◽  
Insight Into

The nature and characteristics of the C–H⋯π interactions that play an important role in crystal packing of two iron(iii) complexes have been discussed. The DFT calculations have been conducted to determine the interaction energies in these complexes.

scholarly journals One-pot synthesis of symmetric imidazolium ionic liquids N,N-disubstituted with long alkyl chains

RSC Advances ◽  
2020 ◽  
Vol 10 (36) ◽  
pp. 21071-21081
Author(s):  
Giacomo Damilano ◽  
Demian Kalebić ◽  
Koen Binnemans ◽  
Wim Dehaen
Keyword(s):  
Ionic Liquids ◽  
High Yield ◽  
One Pot ◽  
Imidazolium Ionic Liquids ◽  
Alkyl Chains ◽  
One Pot Synthesis ◽  
Greener Synthesis ◽  
Long Chain

The modified Debus–Radziszewski reaction was used as a one-pot on-water reaction to allow a greener synthesis of long-chain 1,3-dialkylimidazolium acetate ionic liquids in high yield from long-chain linear amines.

The Influence of the Axial Ligand on the Solid-State Structures of Pentacoordinate Manganese Tetraphenylporphyrin Complexes

1998 ◽  
Vol 51 (9) ◽  
pp. 853 ◽  
Author(s):  
Peter Turner ◽  
Maxwell J. Gunter ◽  
Brian W. Skelton ◽  
Allan H. White
Keyword(s):  
Solid State ◽  
Metal Ion ◽  
Crystal Packing ◽  
Intrinsic Property ◽  
Axial Ligand ◽  
Ligand Field ◽  
Independent Molecules ◽  
Solid State Structures ◽  
Packing Interactions

The crystal structures of Mn(tpp)(NCO), Mn(tpp)(CH3CO2).0·5C7H8, Mn(tpp)(NCS).0·5C7H8, Mn(tpp)(Br).C7H8, Mn(tpp)(I).C7H8 and the previously reported structures Mn(tpp)(Cl).(CH3)2CO, Mn(tpp)(Cl).C7H8, Mn(tpp)(NO2).C6H6, Mn(tpp)(NO3).2C6H6, Mn(tpp)(OSO3H), Mn(tpp)(H2O).-SO3CF3 and Mn(tpp)(CN).CHCl3 are used to assess the role of the axial anion in the crystal packing of pentacoordinate manganese tetraphenylporphyrin complexes. A comparison of the packing strategies adopted by the toluene solvates suggests that the axial anion can sterically determine the lattice packing motif. Amongst the structures examined, there appears to be a hierarchy of packing strategies led by the elegant ‘slot together’ assembly pattern underpinning the Mn(tpp)(Br).C7H8 and Mn(tpp)(Cl).C7H8 lattices. The metrical parameters that have been used to assess intercomplex interactions in the solid state are shown to be crystal packing sensitive. This is clearly evident in the structure of Mn(tpp)(I).C7H8 which has two crystallographically independent molecules. The displacement of the metal ion from the porphyrin core is determined by the axial ligand field; however, this otherwise intrinsic property is also crystal packing dependent. That is, the iodo ligand field itself is modulated by crystal packing interactions. The isomorphous Mn(tpp)(CH3CO2).0·5C7H8 and Mn(tpp)(NCS).0·5C7H8 structures, which also have two crystallographically independent molecules, indicate that the axial ligand field strength can influence intercomplex interactions in the solid state, by moderating charge donation from the porphyrin to the metal.

Aggregation behavior of long-chain imidazolium ionic liquids in ethylammonium nitrate

2010 ◽  
Vol 288 (12-13) ◽  
pp. 1225-1232 ◽  
Author(s):  
Wenpei Kang ◽  
Bin Dong ◽  
Yanan Gao ◽  
Liqiang Zheng
Keyword(s):  
Ionic Liquids ◽  
Aggregation Behavior ◽  
Imidazolium Ionic Liquids ◽  
Ethylammonium Nitrate ◽  
Long Chain
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