Anisotropic Proton Conductivity Arising from Hydrogen-Bond Patterns in Anhydrous Organic Single Crystals, Imidazolium Carboxylates

2018 ◽  
Vol 122 (22) ◽  
pp. 11623-11632 ◽  
Author(s):  
Yoshiya Sunairi ◽  
Akira Ueda ◽  
Junya Yoshida ◽  
Keisuke Suzuki ◽  
Hatsumi Mori
Keyword(s):  
Hydrogen Bond ◽  
Single Crystals ◽  
Proton Conductivity ◽  
Hydrogen Bond Patterns

Diphenylalanine in tetrahydrofuran: a highly potent candidate for the development of novel nanomaterials

2017 ◽  
Vol 73 (6) ◽  
pp. 447-450 ◽  
Author(s):  
Evangelos Georgilis ◽  
Renate Gessmann ◽  
Anna Mitraki ◽  
Kyriacos Petratos
Keyword(s):  
Hydrogen Bond ◽  
Single Crystals ◽  
Crystal Structures ◽  
Slow Evaporation ◽  
Hydrogen Bond Acceptor ◽  
Hydrogen Bond Patterns

The peptide di-L-phenylalanine (FF) has emerged as a highly potent candidate for the development of novel nanomaterials. The unprotected peptide was dissolved in 1,1,1,3,3,3-hexafluoropropan-2-ol (HFIP) mixed with tetrahydrofuran (THF) and single crystals of the THF monosolvate, C18H20N2O3·C4H8O, were grown by slow evaporation in a `vial-in-closed-bottle' system. THF is a molecule that can only act as a hydrogen-bond acceptor. Thus, the hydrogen-bond patterns observed in the crystal structures at 100 and 299 K are different compared to that of crystals grown from water and methanol [Mason et al. (2014). ACS Nano. 8, 1243–1253].

High proton conductivity in a nickel(ii) complex and its hybrid membrane

2019 ◽  
Vol 48 (6) ◽  
pp. 2190-2196 ◽  
Author(s):  
Shuai-Liang Yang ◽  
Yue-Ying Yuan ◽  
Fei Ren ◽  
Chen-Xi Zhang ◽  
Qing-Lun Wang
Keyword(s):  
Hydrogen Bond ◽  
Proton Conductivity ◽  
Hybrid Membrane ◽  
Water Molecules ◽  
Hybrid Membranes ◽  
High Proton Conductivity ◽  
High Proton ◽  
Hydrogen Bond Networks

A novel 2D nickel(ii) complex (1) has been successfully synthesized using a 2,2′-bipyridyl, polycarboxylsulfonate ligand H4SBTC and Ni2+ ions. Owing to the presence of abundant water molecules, hydrogen bond networks and other protons, 1 and its hybrid membranes demonstrate high proton conductivity.

A structural study of (1RS,2SR,3RS,4SR,5RS)-2,4-dibenzoyl-1,3,5-triphenylcyclohexan-1-ol chloroform hemisolvate and (1RS,2SR,3RS,4SR,5RS)-2,4-dibenzoyl-1-phenyl-3,5-bis(2-methoxyphenyl)cyclohexan-1-ol

2015 ◽  
Vol 71 (6) ◽  
pp. 491-498 ◽  
Author(s):  
Mikhail E. Minyaev ◽  
Dmitrii M. Roitershtein ◽  
Ilya E. Nifant'ev ◽  
Ivan V. Ananyev ◽  
Tatyana V. Minyaeva ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Single Crystals ◽  
Structural Study ◽  
Chair Conformation ◽  
Cyclohexane Ring ◽  
Nmr Studies ◽  
Acta Cryst

(1RS,2SR,3RS,4SR,5RS)-2,4-Dibenzoyl-1,3,5-triphenylcyclohexan-1-ol or (4-hydroxy-2,4,6-triphenylcyclohexane-1,3-diyl)bis(phenylmethanone), C38H32O3, (1), is formed as a by-product in the NaOH-catalyzed synthesis of 1,3,5-triphenylpentane-1,5-dione from acetophenone and benzaldehyde. Single crystals of the chloroform hemisolvate, C38H32O3·0.5CHCl3, were grown from chloroform. The structure has triclinic (P-1) symmetry. One diastereomer [as a pair of (1RS,2SR,3RS,4SR,5RS)-enantiomers] of (1) has been found in the crystal structure and confirmed by NMR studies. The dichoromethane hemisolvate has been reported previously [Zhanget al.(2007).Acta Cryst.E63, o4652]. (1RS,2SR,3RS,4SR,5RS)-2,4-Dibenzoyl-3,5-bis(2-methoxyphenyl)-1-phenylcyclohexan-1-ol or [4-hydroxy-2,6-bis(2-methoxyphenyl)-4-phenylcyclohexane-1,3-diyl]bis(phenylmethanone), C40H36O5, (2), is also formed as a by-product, under the same conditions, from acetophenone and 2-methoxybenzaldehyde. Crystals of (2) have been grown from chloroform. The structure has orthorhombic (Pca21) symmetry. A diastereomer of (2) possesses the same configuration as (1). In both structures, the cyclohexane ring adopts a chair conformation with all bulky groups (benzoyl, phenyl and 2-methoxyphenyl) in equatorial positions. The molecules of (1) and (2) both display one intramolecular O—H...O hydrogen bond.

Identification of hydrogen bond modes in polarized Raman spectra of single crystals of α-oxalic acid dihydrate

2009 ◽  
Vol 40 (11) ◽  
pp. 1605-1614 ◽  
Author(s):  
Vlasta Mohaček-Grošev ◽  
Jože Grdadolnik ◽  
Jernej Stare ◽  
Dušan Hadži
Keyword(s):  
Hydrogen Bond ◽  
Oxalic Acid ◽  
Single Crystals ◽  
Raman Spectra ◽  
Oxalic Acid Dihydrate ◽  
Polarized Raman

Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor

1996 ◽  
Vol 52 (3) ◽  
pp. 487-499 ◽  
Author(s):  
M. Kubicki ◽  
T. W. Kindopp ◽  
M. V. Capparelli ◽  
P. W. Codding
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Binding Site ◽  
Three Dimensional ◽  
Hydrogen Bonding Pattern ◽  
Wide Range ◽  
Show Evidence ◽  
Additional Hydrogen Bond ◽  
Hydrogen Bond Patterns ◽  
Solvent Molecules

The crystal structures of five 1,4-dihydro-2,3-quinoxalinediones, antagonists of the NMDA modulatory glycine binding site on the excitary amino acid (EAA) receptor complex, have been determined: (I) 6,7-dinitro-1,4-dihydro-2,3-quinoxalinedione (DNQX); (II) 5,7-dinitro-1,4-dihydro-2,3-quinoxalinedione (MNQX); (III) 6-nitro-1,4-dihydro-2,3-quinoxalinedione hydrate; (IV) 6,7-dichloro-1,4-dihydro-2,3-quinoxalinedione; (V) 5,7-dichloro-1,4-dihydro-2,3-quinoxalinedione dimethylformamide. The crystal structure of the most active compound (II) contains a unique intramolecular N—H...O(NO2) hydrogen bond, which may be important for activity, as semiempirical calculations show that this bond is stable over a wide range of dihedral angles between the planes of the molecule and of the nitro group. In the other compounds the intermolecular hydrogen bonds connect molecules into three-dimensional networks. In compounds (I), (III) and (IV) head-to-tail: π-stacking is found between molecules connected by a center of symmetry. The geometries of the hydrogen-bonded —NH—C=O fragments show evidence of π-cooperativity or resonance-assisted hydrogen bonding. Graph-set analysis of the hydrogen-bond patterns of quinoxalinedione derivatives shows a tendency to form two types of hydrogen-bonding motifs: a centrosymmetric dimeric ring and an infinite chain. Even though this pattern may be modified by the presence of additional hydrogen-bond acceptors and/or donors, as well as by solvent molecules, general similarities have been found. Comparison of all quinoxalinedione structures suggests that the hydrogen-bonding pattern necessary for the biological activity at the glycine binding site contains one donor and two acceptors.

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