Stabilization of synthetic heme-superoxo complexes by hydrogen bonding: a still on-going quest

2018 ◽  
Vol 42 (10) ◽  
pp. 7516-7521 ◽  
Author(s):  
Bernard Boitrel ◽  
Stéphane Le Gac
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Fine Tuning ◽  
Apical Position ◽  
Coordination Site ◽  
Hydrogen Bond Donors

The design of various types of synthetic heme models has allowed the fine tuning of the location of hydrogen bond donors around the ferrous coordination site. Through the years, it has migrated from a lateral to a quasi-apical position. Still, the unambiguous existence of an actual H-bond with the dioxygen adduct remains to be established.

Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors

CrystEngComm ◽  
2009 ◽  
Vol 11 (1) ◽  
pp. 87-93 ◽  
Author(s):  
David R. Turner ◽  
Sze Nee Pek ◽  
Stuart R. Batten
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Packing Effects ◽  
Hydrogen Bond Donors

Hydrogen bonding and dominant conformations of hydrated sugar analogue complexes using tetrahydrofurfuryl alcohol as the model sugar molecule

2018 ◽  
Vol 20 (10) ◽  
pp. 7351-7360 ◽  
Author(s):  
Shan Jin ◽  
Yongjun Hu ◽  
Pengchao Wang ◽  
Huaqi Zhan ◽  
Qiao Lu ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Gas Phase ◽  
Water Molecules ◽  
Conformational Landscape ◽  
Hydrogen Bond Donors

Water molecules, which serve as both hydrogen bond donors and acceptors, have been found to influence the conformational landscape of gas-phase phenyl-β-d-glucopyranoside.

scholarly journals Efficacy of Selenourea Organocatalysts in Asymmetric Michael Reactions under Standard and Solvent-Free Conditions

Molecules ◽  
2021 ◽  
Vol 26 (23) ◽  
pp. 7303
Author(s):  
Mariola Zielińska-Błajet ◽  
Żaneta A. Mała ◽  
Rafał Kowalczyk
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Ball Mill ◽  
Solvent Free ◽  
Cinchona Alkaloid ◽  
Bifunctional Catalysts ◽  
The Novel ◽  
Michael Reactions ◽  
Solvent Free Conditions ◽  
Hydrogen Bond Donors

By varying the steric and electronic surroundings of the hydrogen-bonding motif, the novel chiral Cinchona-alkaloid based selenoureas were developed. Acting as bifunctional catalysts, they were applied in the Michael reactions of dithiomalonate and nitrostyrene providing chiral adducts with up to 96% ee. The asymmetric Michael–-hemiacetalization reaction of benzylidene pyruvate and dimedone, performed with the assistance of 5 mol% of selenoureas, furnished the product with up to 93% ee and excellent yields. The effectiveness of the new hydrogen-bond donors was also proved in solvent-free reactions under ball mill conditions, supporting the sustainability of the devised catalytic protocol.

Diaquasulfato(2,4,6-tri-2-pyridyl-1,3,5-triazine)nickel(II) dihydrate

2006 ◽  
Vol 62 (5) ◽  
pp. m986-m988 ◽  
Author(s):  
Maria Enriqueta Díaz de Vivar ◽  
Sergio Baggio ◽  
Ricardo Baggio
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Water Molecules ◽  
Additional Water ◽  
Bonding Scheme ◽  
Hydrogen Bond Donors

The title compound, [Ni(SO4)(C18H12N6)(H2O)2]·2H2O, is isostructural with the zinc and cobalt analogues already reported in the literature. The compound is monomeric, with an octahedral Ni centre coordinated by a tridentate 2,4,6-tri-2-pyridyl-1,3,5-triazine ligand, two water molecules and a monodentate sulfate ligand. The presence of two additional water molecules of crystallization leads to a total of eight hydrogen-bond donors, from which a very complex hydrogen-bonding scheme is built up.

Interaction of Gold Atom with Clusters of Water: Few Computational Mise-En-Scènes with Hydrogen Bonding Motif

2008 ◽  
Vol 73 (11) ◽  
pp. 1457-1474 ◽  
Author(s):  
Eugene S. Kryachko
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Computational Model ◽  
Photoelectron Spectroscopy ◽  
Water Clusters ◽  
Gold Atom ◽  
Proton Acceptor ◽  
Anion Photoelectron Spectroscopy ◽  
Relationship Of ◽  
First Time

The present work outlines the fair relationship of the computational model with the experiments on anion photoelectron spectroscopy for the gold-water complexes [Au(H2O)1≤n≤2]- that is established between the auride anion Au- and water monomer and dimer thanks to the nonconventional hydrogen bond where Au- casts as the nonconventional proton acceptor. This work also extends the computational model to the larger complexes [Au(H2O)3≤n≤5]- where gold considerably thwarts the shape of water clusters and even particularly breaks their conventional hydrogen bonding patterns. The fascinating phenomenon of the lavish proton acceptor character of Au- to form at least six hydrogen bonds with molecules of water is computationally unveiled in the present work for the first time.

Rietveld refinement of the cocrystal 2,4-dihydroxybenzoic acid–N′-(propan-2-ylidene)nicotinohydrazide (1/1)

2012 ◽  
Vol 68 (9) ◽  
pp. o335-o337 ◽  
Author(s):  
Saul H. Lapidus ◽  
Andreas Lemmerer ◽  
Joel Bernstein ◽  
Peter W. Stephens
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Powder Diffraction ◽  
Supramolecular Assembly ◽  
Covalent Bond ◽  
Analytical Tool ◽  
Powder Diffraction Data ◽  
Dihydroxybenzoic Acid ◽  
Bond Forming ◽  
Hydrogen Bond Interactions

A further example of using a covalent-bond-forming reaction to alter supramolecular assembly by modification of hydrogen-bonding possibilities is presented. This concept was introduced by Lemmerer, Bernstein & Kahlenberg [CrystEngComm(2011),13, 55–59]. The title structure, C9H11N3O·C7H6O4, which consists of a reacted niazid molecule,viz.N′-(propan-2-ylidene)nicotinohydrazide, and 2,4-dihydroxybenzoic acid, was solved from powder diffraction data using simulated annealing. The results further demonstrate the relevance and utility of powder diffraction as an analytical tool in the study of cocrystals and their hydrogen-bond interactions.

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