Solid‐State Hydrogen‐Bond Alterations in a [Co 2 Fe 2 ] Complex with Bifunctional Hydrogen‐Bonding Donors

2019 ◽  
Vol 25 (31) ◽  
pp. 7449-7452 ◽  
Author(s):  
Masayuki Nihei ◽  
Yuta Yanai ◽  
Dominik Natke ◽  
Ryo Takayama ◽  
Marina Kato ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Solid State

scholarly journals Solid-state structure and electronic states of hydrogen-bonded dimer of pyridyl-substituted tetrathiafulvalene salted with PF6−

RSC Advances ◽  
2017 ◽  
Vol 7 (11) ◽  
pp. 6236-6241 ◽  
Author(s):  
Tomoaki Kanetou ◽  
Ryo Tsunashima ◽  
Norihisa Hoshino ◽  
Tomoyuki Akutagawa
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Dipole Moment ◽  
Solid State ◽  
Electric Dipole Moment ◽  
Electric Dipole ◽  
Electronic States ◽  
Electronic Systems ◽  
State Structure ◽  
Solid State Structure

Our results clarified uniqueness in hydrogen bonding TTFPy dimer in which proton in hydrogen bond was thermally fluctuated. In addition, the fluctuation was coupled with π-electronic systems of TTF moiety where electric dipole moment was amplified.

scholarly journals Structure Elucidation of N-aryl-2-chloro-3-oxobutanamides with respect to intra- and intermolecular hydrogen bonding

2002 ◽  
Vol 2002 (1) ◽  
pp. 13-14 ◽  
Author(s):  
Petra Frohberg ◽  
Guntram Drutkowski ◽  
Christoph Wagner ◽  
Olaf Lichtenberger
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Solid State ◽  
Structure Elucidation ◽  
Intermolecular Hydrogen Bond ◽  
Carbonyl Oxygen ◽  
Intermolecular Hydrogen Bonding ◽  
Intramolecular Association

In general, N-aryl-2-chloro-3-oxobutanamides form in solid state an intermolecular hydrogen bond between the anilide hydrogen and the anilide carbonyl oxygen of a neighbouring molecule, which is disrupted in solution. An intramolecular association could not be detected.

Vibrational Spectra of Trifluorothiolacetic Acid: Hydrogen Bonding and Conformational Effects

1973 ◽  
Vol 27 (6) ◽  
pp. 440-443 ◽  
Author(s):  
G. A. Crowder
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Raman Spectrum ◽  
Solid State ◽  
Vibrational Assignment ◽  
Hydrogen Bond Energy ◽  
Solid States ◽  
Rotational Isomers ◽  
Conformational Effects ◽  
Solid State Spectrum

Infrared spectra were obtained for trifluorothiolacetic acid in the vapor, liquid, and solid states, and the Raman spectrum of the liquid was obtained. The spectra have been interpreted in terms of two rotational isomers being present in the liquid state, with the hydrogen atom being either eclipsed with or trans to the oxygen. The solid state spectrum was interpreted to be due to a hydrogen-bonded dimer. The absence of the hydrogen bonding in the liquid indicates a hydrogen bond energy of only a few hundred calories per mole. A vibrational assignment is proposed.

scholarly journals On hydrogen bonding in 1,6-anhydro-β-D-glucopyranose (levoglucosan): X-ray and neutron diffraction and DFT study

2006 ◽  
Vol 62 (5) ◽  
pp. 912-918 ◽  
Author(s):  
Ľubomír Smrčok ◽  
Mariana Sládkovičová ◽  
Vratislav Langer ◽  
Chick C. Wilson ◽  
Miroslav Koóš
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Neutron Diffraction ◽  
Dft Calculations ◽  
Diffraction Data ◽  
Neutron Diffraction Study ◽  
Single Crystal Diffraction ◽  
X Ray

The geometry of hydrogen bonds in 1,6-anhydro-β-D-glucopyranose (levoglucosan) is accurately determined by refinement of time-of-flight neutron single-crystal diffraction data. Molecules of levoglucosan are held together by a hydrogen-bond array formed by a combination of strong O—H...O and supporting weaker C—H...O bonds. These are fully and accurately detailed by the neutron diffraction study. The strong hydrogen bonds link molecules in finite chains, with hydroxyl O atoms acting as both donors and acceptors of hydroxyl H atoms. A comparison of molecular and solid-state DFT calculations predicts red shifts of O—H and associated blue shifts of C—H stretching frequencies due to the formation of hydrogen bonds in this system.

scholarly journals Cover Feature: Solid‐State Hydrogen‐Bond Alterations in a [Co 2 Fe 2 ] Complex with Bifunctional Hydrogen‐Bonding Donors (Chem. Eur. J. 31/2019)

2019 ◽  
Vol 25 (31) ◽  
pp. 7404-7404
Author(s):  
Masayuki Nihei ◽  
Yuta Yanai ◽  
Dominik Natke ◽  
Ryo Takayama ◽  
Marina Kato ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Solid State

scholarly journals Characterisation of isothiocyanic acid, HNCS, in the solid state: trapped by hydrogen bonding

2016 ◽  
Vol 52 (90) ◽  
pp. 13296-13298 ◽  
Author(s):  
Stefano Nuzzo ◽  
Brendan Twamley ◽  
James A. Platts ◽  
Robert J. Baker
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Solid State ◽  
Dft Calculations ◽  
Strong Hydrogen Bond ◽  
Structural Characterisation ◽  
Image Courtesy

The structural characterisation of [Ph4P][NCS]·HNCS is reported and structurally characterised. DFT calculations and spectroscopy show a strong hydrogen bond (image courtesy of ESO).

Rage Against Conformity: Ruthenium(ɪɪ) Bisterpyridine Complexes Respond to Crystal Engineering Instructions with Whelming Results

2017 ◽  
Vol 70 (5) ◽  
pp. 529 ◽  
Author(s):  
Hasti Iranmanesh ◽  
Kasun S. A. Arachchige ◽  
William A. Donald ◽  
Niamh Kyriacou ◽  
Chao Shen ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Solid State ◽  
Single Crystal ◽  
Crystal Engineering ◽  
Intermolecular Hydrogen Bonding ◽  
Hydrogen Bond Donor ◽  
One Dimensional ◽  
X Ray ◽  
Hydrogen Bonded

Four heteroleptic ruthenium(ii) complexes of 4′-functionalised 2,2′:6′,2′′-terpyridine are reported, along with their solid-state single-crystal X-ray structures. The complexes feature complementary hydrogen-bond donor (phenol) and acceptor (pyridyl) groups designed to assemble into one-dimensional polymers. In one example, the system obeys the programmed instructions to form a one-dimensional, self-complementary hydrogen-bonded polymer. In one other example, a water-bridged hydrogen-bonded polymer is formed. In the remaining two structures, aryl–aryl interactions dominate the intermolecular interactions, and outweigh the contribution of intermolecular hydrogen bonding.

scholarly journals Different intra- and intermolecular hydrogen-bonding patterns in (3S,4aS,8aS)-2-[(2R,3S)-3-(2,5-X2-benzamido)-2-(2,5-X2-benzoyloxy)-4-phenylbutyl]-N-tert-butyldecahydroisoquinoline-3-carboxamides (X= H or Cl): compounds with moderate aspartyl protease inhibition activity

2017 ◽  
Vol 73 (6) ◽  
pp. 913-917
Author(s):  
Wilson Cunico ◽  
Maria de Lourdes G. Ferreira ◽  
James L. Wardell ◽  
William T. A. Harrison
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Aspartyl Protease ◽  
Intermolecular Hydrogen Bonding ◽  
Inhibition Activity ◽  
Chemical Similarity ◽  
Protease Inhibition ◽  
Donor And Acceptor

The crystal structures of (3S,4aS,8aS)-2-[(2R,3S)-3-benzamido-2-benzoyloxy-4-phenylbutyl]-N-tert-butyldecahydroisoquinoline-3-carboxamide, C38H47N3O4, (I), and (3S,4aS,8aS)-2-[(2R,3S)-3-(2,5-dichlorobenzamido)-2-(2,5-dichlorobenzoyloxy)-4-phenylbutyl]-N-tert-butyldecahydroisoquinoline-3-carboxamide, C38H43Cl4N3O4, (II), are described. Despite their chemical similarity, they adopt different conformations in the solid state: (I) features a bifurcated intramolecular N—H...(N,O) hydrogen bond from thetert-butylamide NH group to the piperidine N atom and the benzoate O atom, whereas (II) has an intramolecular N—H...O link from the benzamide NH group to thetert-butylamide O atom. In the crystal of (I), molecules are linked byC(4) amide N—H...O hydrogen bonds into chains propagating in the [010] direction, with both donor and acceptor parts of the benzamide group. In the extended structure of (II),C(11) N—H...O chains propagating in the [010] direction arise, with the donor being thetert-butylamide NH group and the acceptor being the O atom of the benzamide group.

Solid-State Photoreversible Polymerization of n-Alkyl-Linked Bis-Thymines using Non-Covalent Polymer-Templating

2010 ◽  
Vol 63 (4) ◽  
pp. 631 ◽  
Author(s):  
Priscilla Johnston ◽  
Milton T.W. Hearn ◽  
Kei Saito
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bonding ◽  
Solid State ◽  
Nucleic Acid ◽  
Green Chemistry ◽  
Vinyl Pyrrolidone ◽  
Acid Base ◽  
Polymer Templating ◽  
Nucleic Acid Base ◽  
Poly Vinyl Pyrrolidone

Procedures derived from bioinspired mechanisms are increasingly being used to create novel materials based on the principles of green chemistry. Thymine, a nucleic acid base in DNA, has the propensity to both hydrogen bond and photodimerize. Photodimerization of thymine occurs when irradiated at wavelengths of >270 nm and can be reversed by irradiation at wavelengths of <250 nm. In this investigation, n-alkyl-linked bis-thymines have been supramolecularly aligned with poly(vinyl pyrrolidone) templates by non-covalent hydrogen bonding, and photopolymerized in the solid state. Photo-depolymerization of the products was performed to complete the reversible polymerization.

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