Search results for "Dihydrogen bond"
showing 4 items of 4 documents
Unconventional dihydrogen-bond interaction induced cyanide-bridged chiral nano-sized magnetic molecular wheel: synthesis, crystal structure and syste…
2019
A pair of cyanide-bridged 4d–3d heterobimetallic chiral macrocyclic enantiomeric magnetic complexes have been successfully assembled from the trans-dicyanoruthenium(III) building block [PPh4][Ru(Salen)(CN)2] (Salen = N,N-ethylenebis(salicylideneaminato)dianion) and [Mn((S,S/R,R)-Salcy)(H2O)2]ClO4 (Salcy = N,N′-(1,2-cyclohexanediylethylene)bis(salicylideneiminato)dianion) with the great help of the dihydrogen bond (DHB) interaction and characterized by elemental analysis, IR spectroscopy, circular dichroism (CD) and magnetic circular dichroism (MCD) spectroscopy. Single X-ray diffraction reveals that complex 1, {[Ru(Salen)(CN)2][R,R-Mn(Salcy)]}6·PPh3·6CH3CN·6CH3OH·12H2O, is a neutral dodecan…
Experimental and Computational Studies of Hydrogen Bonding and Proton Transfer to [Cp*Fe(dppe)H]
2005
The present contribution reports experimental and computational investigations of the interaction between [Cp*Fe(dppe)H] and different proton donors (HA). The focus is on the structure of the proton transfer intermediates and on the potential energy surface of the proton transfer leading to the dihydrogen complex [Cp*Fe(dppe)(H2)]+. With p-nitrophenol (PNP) a UV/Visible study provides evidence of the formation of the ion-pair stabilized by a hydrogen bond between the nonclassical cation [Cp*Fe(dppe)(H2)]+ and the homoconjugated anion ([AHA]-). With trifluoroacetic acid (TFA), the hydrogen-bonded ion pair containing the simple conjugate base (A-) in equilibrium with the free ions is observed…
Crystal structure and Hirshfeld surface analysis of [N(CH3)4][2,2′-Fe(1,7-closo-C2B9H11)2]
2017
This work investigates the meta-ferrabis(dicarbollide) anion that was isolated as salt of tetramethylammonium. The structure of the obtained crystal consisted of discrete [2,2′-Fe(1,7-closo-C2B9H11)2]− anions and disordered [N(CH3)4]+ cations. The anion had a considerable chemical stability ensured by ionic and Van der Waals interactions. Thus, Hirshfeld surfaces and fingerprint plot were used to visualize, explore, and quantify intermolecular interactions in the crystal lattice of the title compound. This investigation proved that close contacts were dominated by H⋯H interactions. peerReviewed
Crystal structure and Hirshfeld surface analysis of [N(CH3)4][2,2′-Fe(1,7-closo-C2B9H11)2]
2017
Abstract This work investigates the meta -ferrabis(dicarbollide) anion that was isolated as salt of tetramethylammonium. The structure of the obtained crystal consisted of discrete [2,2′-Fe(1,7- closo -C 2 B 9 H 11 ) 2 ] − anions and disordered [N(CH 3 ) 4 ] + cations. The anion had a considerable chemical stability ensured by ionic and Van der Waals interactions. Thus, Hirshfeld surfaces and fingerprint plot were used to visualize, explore, and quantify intermolecular interactions in the crystal lattice of the title compound. This investigation proved that close contacts were dominated by H⋯H interactions.