Elucidating the intermolecular hydrogen bonding interaction of proline with amides—quantum chemical calculations

2018 ◽  
Vol 30 (3) ◽  
pp. 755-767 ◽  
Author(s):  
Geetanjali Chopra ◽  
Neha Chopra ◽  
Damanjit Kaur
Keyword(s):  
Hydrogen Bonding ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Intermolecular Hydrogen Bonding ◽  
Hydrogen Bonding Interaction ◽  
Intermolecular Hydrogen Bonding Interaction ◽  
Bonding Interaction

scholarly journals Ethanol(nitrato)[tris(4-cyano-3-phenyl-1H-pyrazol-1-yl)hydroborato]nickel(II)

IUCrData ◽  
2021 ◽  
Vol 6 (7) ◽  
Author(s):  
Elvin V. Salerno ◽  
Lava R. Kadel ◽  
David M. Eichhorn
Keyword(s):  
Hydrogen Bonding ◽  
Coordination Sphere ◽  
Intermolecular Hydrogen Bonding ◽  
Hydrogen Bonding Interaction ◽  
Sandwich Complex ◽  
Intermolecular Hydrogen Bonding Interaction ◽  
Bonding Interaction ◽  
Half Sandwich

The synthesis and structure is reported of TpPh,4CNNi(NO3)(EtOH) or [Ni(C30H19BN9)(NO3)(C2H6O)], the first half-sandwich complex of a cyanoscorpionate ligand. The pseudooctahedral coordination sphere of the NiII ion is comprised of a tridentate tris(4-cyano-3-phenylpyrazolyl)borate ligand, a bidentate nitrate ligand and a neutral ethanol ligand. The phenyl substituents on the TpPh,4CN ligand are relatively parallel to the planes of the ethanol and nitrate ligands. An intermolecular hydrogen-bonding interaction is evident between the ethanol OH group and the pyrazole CN substituent. The ethanol ligand was modeled with a 0.572 (13)/0.428 (13) disorder of the methyl C atom.

Investigation of Hydrogen Bonding Interaction between Bolaform Schiff Bases with Barbituric Acid by HPLC

2011 ◽  
Vol 356-360 ◽  
pp. 48-51
Author(s):  
Qi Tong ◽  
Ti Feng Jiao
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Liquid Chromatography ◽  
Schiff Bases ◽  
Barbituric Acid ◽  
Flexible Structure ◽  
Intermolecular Hydrogen Bonding ◽  
Acid Molecule ◽  
Hydrogen Bonding Interaction ◽  
Bonding Interaction

In order to investigate the intermolecular hydrogen bonding of special amphiphiles, two bolaform amphiphilic Schiff bases (GN1 and GN2) with different hydrophilic spacers were designed, and their interaction with barbituric acid were tested by liquid chromatography. The chromatographic properties showed that both the Schiff bases showed hydrogen bonding interaction with barbituric acid. In addition, the influence of various detectors was also studied on both cases. Experimental results show that the test with FLD showed better determination than other detectors. It is proposed that due to the directionality and strong matching of hydrogen bond, one barbituric acid molecule can be encapsulated into the intramolecular area of GN1, while two barbituric acid molecules were trapped into the GN2 molecule through intermolecular H-bonds for GN2 due to the long spacer and flexible structure. A rational complex mode was proposed.

Weak intramolecular and intermolecular hydrogen bonding of benzyl alcohol, 2-phenylethanol and 2-phenylethylamine in the adsorption on graphitized thermal carbon black

2015 ◽  
Vol 17 (37) ◽  
pp. 24282-24293 ◽  
Author(s):  
V. V. Varfolomeeva ◽  
A. V. Terentev
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Carbon Black ◽  
Benzyl Alcohol ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Intermolecular Hydrogen Bonding ◽  
Weak Hydrogen Bond ◽  
Graphitized Thermal Carbon Black ◽  
Flexible Molecules

The present paper discusses the contemporary state of the studies of the weak hydrogen bond contribution to the adsorption of flexible molecules. We formulated the problems which can be solved today only using the NCI method and quantum chemical calculations.

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