Experimental Determination of the Electrostatic Nature of Carbonyl Hydrogen-Bonding Interactions Using IR-NMR Correlations

2014 ◽  
Vol 5 (18) ◽  
pp. 3211-3215 ◽  
Author(s):  
Somnath M. Kashid ◽  
Sayan Bagchi
Keyword(s):  
Hydrogen Bonding ◽  
Experimental Determination ◽  
Hydrogen Bonding Interactions

Spectroscopic investigations of hydrogen bonding interactions in the gas phase. II. The determination of the geometry and potential constants of the hydrogen-bonded heterodimer CH 3 CN • • • HF from its microwave rotational spectrum

1980 ◽  
Vol 370 (1741) ◽  
pp. 239-255 ◽  
Keyword(s):  
Hydrogen Bonding ◽  
Gas Phase ◽  
Spectroscopic Constants ◽  
Rotational Spectrum ◽  
Hydrogen Bonding Interactions ◽  
Isotopic Species ◽  
Microwave Rotational Spectrum ◽  
Vibration Rotation ◽  
Hydrogen Bonded

The microwave rotational spectrum of the hydrogen-bonded heterodimer CH 3 CN • • • HF has been identified and shown to be characteristic of a symmetric top. A detailed analysis of several rotational transitions for a variety of isotopic species gives the spectroscopic constants summarized in the following table: Rotational constants/MHz, vibration-rotation constants/MHz and vibrational separations/cm -1 of CH 3 CN • • • HF

An experimental determination of the free energy of hydrogen bonding to an anion radical

1976 ◽  
Vol 98 (12) ◽  
pp. 3410-3414 ◽  
Author(s):  
Gerald R. Stevenson ◽  
Yvonne Fraticelli ◽  
Rosario Concepcion
Keyword(s):  
Free Energy ◽  
Hydrogen Bonding ◽  
Experimental Determination ◽  
Anion Radical

Neutron structures of ammonium tetrafluoroberyllate

1999 ◽  
Vol 55 (1) ◽  
pp. 17-23 ◽  
Author(s):  
R. C. Srivastava ◽  
W. T. Klooster ◽  
T. F. Koetzle
Keyword(s):  
Hydrogen Bonding ◽  
Ferroelectric Phase ◽  
Paraelectric Phase ◽  
Accurate Determination ◽  
Mirror Plane ◽  
Accurate Information ◽  
X Ray ◽  
The Past ◽  
Hydrogen Bonding Interactions

It is thought that hydrogen bonding is responsible for the ferroelectricity in ammonium tetrafluoroberyllate, (NH_{4})_{2}BeF_{4}. In the past X-ray data have been collected, but these did not permit accurate determination of the H-atom positions. In order to obtain more accurate information the neutron structures have now been determined for the paraelectric and ferroelectric phases. Going from the paraelectric to the ferroelectric phase, both the BeF_4^{2-} and the NH_4^+ ions rotate and shift from the mirror planes of the paraelectric phase. This results in removal of the mirror-plane symmetry and formation of a superlattice with the a axis doubled. Along the polar c axis, the NH_4^+ ions move towards the BeF_4^{2-} ions within chains of molecules and the chains move slightly relative to one another. The rotations and translations give rise to stronger hydrogen-bonding interactions.

scholarly journals (Metformin-κ2N,N′)(salicylato-κ2O,O′)copper(II) trihydrate

IUCrData ◽  
2018 ◽  
Vol 3 (2) ◽  
Author(s):  
Sandra Julieta Gutiérrez Ojeda ◽  
Ulises Salazar Kuri ◽  
Sylvain Bernès ◽  
Aarón Pérez-Benítez
Keyword(s):  
Hydrogen Bonding ◽  
Diffraction Data ◽  
Accurate Determination ◽  
Title Complex ◽  
Metformin Hydrochloride ◽  
Sacrificial Anode ◽  
Ethanolic Solution ◽  
Hydrogen Bonding Interactions ◽  
Square Planar

The hydrous title complex [systematic name: (1,1-dimethylbiguanide-κ2N2,N4)(2-oxidobenzoato-κ2O,O′)copper(II) trihydrate], [Cu(C7H4O3)(C4H11N5)]·3H2O, was synthesized electrolytically from an ethanolic solution of metformin hydrochloride, acetylsalicylic acid, Pepto-Bismol and a copper sacrificial anode. Diffraction data were collected at 0.56 Å resolution, allowing the accurate determination of H-atom positions in the neutral metformin ligand. Both imine groups in metformin have very similar N=C bond lengths, 1.2978 (17) and 1.3033 (17) Å, and the salicylate dianion behaves as a chelating ligand. The coordination sphere of the copper(II) cation deviates marginally from a square-planar arrangement. In the crystal, short Cu...Cu separations of 3.5476 (3) Å are observed, along with classical hydrogen-bonding interactions.

Aggregation of Hydrogen Bonded Dimeric Tri-Organotin Amino Substituted Pyrimidine-2-Thiolates

2013 ◽  
Vol 66 (5) ◽  
pp. 600 ◽  
Author(s):  
Anastasia Ioannidou ◽  
Agnieszka Czapik ◽  
Petros Gkizis ◽  
Muhamad Perviaz ◽  
Dimitrios Tzimopoulos ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Three Dimensional ◽  
Spectroscopic Techniques ◽  
Hydrogen Bonding Interactions ◽  
Thiolate Ligand ◽  
Thiolate Anions ◽  
Derivatives Of ◽  
Centrosymmetric Dimers

The synthesis of six tri-organotin compounds with 4-amino and 4,6-diaminopyrimidine-2-thiolate is described. The compounds have the general formula R3Sn(thiolate) where R = Me, Bu, or Ph. The compounds are investigated by a variety of spectroscopic techniques both in solution and in the solid state. The environment around the tin centres proves to be tetrahedral with monodentate thiolate anions as is inferred from the infrared and NMR spectra. The coordination sphere is not affected even by the presence of DMSO as solvent. In the solid state, the crystal structure determination of the trimethyl and triphenyltin derivatives of the 4,6-diaminopyrimidine-2-thiolate ligand, reveal an association into centrosymmetric dimers through N–H⋯N hydrogen-bonding interactions leaving the organotin site practically unaffected. However, in addition to the classical hydrogen bonding, weaker N–H⋯RS and N–H⋯Rπ interactions are also present and play an important role in determining further aggregation of these dimers which gives rise to a three-dimensional polymeric structure in the case of the trimethyltin and a layer of dimers in the case of the triphenyltin derivative, respectively.

Experimental determination of a state equation for dissipative granular gases

1999 ◽  
Vol 96 (6) ◽  
pp. 1111-1116 ◽  
Author(s):  
E. Falcon ◽  
S. Fauve ◽  
C. Laroche
Keyword(s):  
Experimental Determination ◽  
State Equation ◽  
Granular Gases
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