Weak hydrogen bond topology in 1,1-difluoroethane dimer: A rotational study

2017 ◽  
Vol 147 (9) ◽  
pp. 094301 ◽  
Keyword(s):  
Hydrogen Bond ◽  
Weak Hydrogen Bond ◽  
Bond Topology

scholarly journals Chalcogen Bond versus Weak Hydrogen Bond: Changing Contributions in Determining the Crystal Packing of [1,2,5]-Chalcogenadiazole-Fused Tetracyanonaphthoquinodimethanes

2021 ◽  
Vol 03 (02) ◽  
pp. 090-096
Author(s):  
Yusuke Ishigaki ◽  
Kota Asai ◽  
Takuya Shimajiri ◽  
Tomoyuki Akutagawa ◽  
Takanori Fukushima ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Density Functional ◽  
Molecular Design ◽  
Crystal Packing ◽  
Cyano Group ◽  
Density Functional Theory Calculations ◽  
Weak Hydrogen Bond ◽  
Functional Theory ◽  
Chalcogen Bond ◽  
Thiadiazole Ring

The crystal structures of a series of tetracyanonaphthoquinodimethanes fused with a selenadiazole or thiadiazole ring revealed that their molecular packing is determined mainly by two intermolecular interactions: chalcogen bond (ChB) and weak hydrogen bond (WHB). ChB between Se and a cyano group dictates the packing of selenadiazole derivatives, whereas the S-based ChB is much weaker and competes with WHB in thiadiazole analogues. This difference can be explained by different electrostatic potentials as revealed by density functional theory calculations. A proper molecular design that weakens WHB can change the contribution of ChB in determining the crystal packing of thiadiazole derivatives.

Influence of a Weak Hydrogen Bond on Vibrational Coherence Probed by Photon Echoes in DCl Dimer Trapped in Solid Nitrogen

2005 ◽  
Vol 109 (22) ◽  
pp. 4873-4880 ◽  
Author(s):  
M. Broquier ◽  
C. Crépin ◽  
A. Cuisset ◽  
H. Dubost ◽  
J. P. Galaup
Keyword(s):  
Hydrogen Bond ◽  
Weak Hydrogen Bond ◽  
Vibrational Coherence ◽  
Photon Echoes ◽  
Solid Nitrogen

Selective adsorption behaviour of carbon dioxide in OH-functionalized metal–organic framework materials

CrystEngComm ◽  
2017 ◽  
Vol 19 (36) ◽  
pp. 5346-5350 ◽  
Author(s):  
Jinjie Qian ◽  
Jinni Shen ◽  
Qipeng Li ◽  
Yue Hu ◽  
Shaoming Huang
Keyword(s):  
Carbon Dioxide ◽  
Hydrogen Bond ◽  
Selective Adsorption ◽  
Metal Organic Framework ◽  
Metal Organic Frameworks ◽  
Adsorption Behaviour ◽  
Weak Hydrogen Bond ◽  
Oh Groups ◽  
Framework Materials ◽  
Metal Organic

The theoretically optimal adsorption locations in hydroxyl (OH)-decorated metal–organic frameworks show that the captured CO2 molecules interact with the cis-μ2-OH groups in an end-on mode, which shows a moderate to weak hydrogen bond.

scholarly journals 2-Oxo-2H-chromen-7-yl 4-methylbenzoate

IUCrData ◽  
2018 ◽  
Vol 3 (7) ◽  
Author(s):  
Abdoulaye Djandé ◽  
Akoun Abou ◽  
Félix Kini ◽  
Konan René Kambo ◽  
Michel Giorgi
Keyword(s):  
Hydrogen Bond ◽  
Title Compound ◽  
Acute Angle ◽  
Membered Ring ◽  
Hirshfeld Surface ◽  
Supramolecular Interactions ◽  
Stacking Interactions ◽  
Weak Hydrogen Bond ◽  
Compound C ◽  
Benzene Rings

In the title compound, C17H12O4, the benzoate ring is oriented at an acute angle of 60.14 (13)° relative to the coumarin plane (r.m.s. deviation = 0.006 Å). This conformation is stabilized by an intramolecular C—H...O weak hydrogen bond, which forms a five-membered ring. Also present are π–π stacking interactions between neighbouring pyrone and benzene rings [centroid-to-centroid distances in the range 3.6286 (1)–3.6459 (1) Å] and C=O...π interactions [O...centroid distances in the range 3.2938 (1)–3.6132 (1) Å]. Hirshfeld surface analysis has been used to confirm and quantify the supramolecular interactions.

scholarly journals Rhomboids make do with a weak hydrogen bond

2019 ◽  
Vol 151 (3) ◽  
pp. 274-274 ◽  
Author(s):  
Caitlin Sedwick
Keyword(s):  
Hydrogen Bond ◽  
Active Site ◽  
Hydrogen Bond Network ◽  
Weak Hydrogen Bond ◽  
Bond Network

JGP paper explores the strength of the hydrogen bond network at the active site of GlpG.

Hydration in aqueous osmolyte solutions: the case of TMAO and urea

2020 ◽  
Vol 22 (20) ◽  
pp. 11614-11624 ◽  
Author(s):  
Christoph J. Sahle ◽  
Martin A. Schroer ◽  
Johannes Niskanen ◽  
Mirko Elbers ◽  
Cy M. Jeffries ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Raman Scattering ◽  
Aqueous Solutions ◽  
First Principles ◽  
Raman Scattering Spectroscopy ◽  
X Ray ◽  
Bond Topology

X-ray Raman scattering spectroscopy and first principles simulations reveal details of the hydration and hydrogen-bond topology of trimethylamine N-oxide (TMAO) and urea in aqueous solutions.

The infra-red spectra of talc, saponite, and hectorite

1958 ◽  
Vol 31 (241) ◽  
pp. 829-845 ◽  
Author(s):  
V. C. Farmer
Keyword(s):  
Hydrogen Bond ◽  
Dipole Moment ◽  
Absorption Spectra ◽  
Water Molecules ◽  
Weak Hydrogen Bond ◽  
Interlayer Water ◽  
Spectral Changes ◽  
Infra Red ◽  
Theoretical Predictions ◽  
Stretching Vibrations

SummaryThe absorption spectra of talc, saponite, and hectorite between 4000 and 400 cm. −1 are closely related, although the bands of the smectites are more diffuse as a result of isomorphous substitutions in the tale structure. Using oriented specimens, vibrations in which the change of dipole moment is perpendicular to the sheets of the minerals are identified, and the results compared with theoretical predictions. Three bands arising from the stretching vibrations of interlayer water molecules in the smectites are distinguished, one of which corresponds to a very weak hydrogen bond. Spectral changes arising from vigorous grinding are discussed.

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