Diaquabis[4-(4H-1,2,4-triazol-4-yl)benzoato-κ2O,O′]cobalt(II), and the cadmium(II) and copper(II) analogues: new self-complementary hydrogen-bond donor/acceptor modules for designing hydrogen-bonded frameworks

2007 ◽  
Vol 63 (4) ◽  
pp. m140-m143 ◽  
Author(s):  
Liliana V. Lukashuk ◽  
Andrey B. Lysenko ◽  
Eduard B. Rusanov ◽  
Alexander N. Chernega ◽  
Konstantin V. Domasevitch
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bond Donor ◽  
Donor Acceptor ◽  
Hydrogen Bonded

The heterobifunctional ligand 5-[4-(1,2,4-triazol-4-yl)phenyl]-1H-tetrazole and its role in the construction of a CdIImetal–organic chain structure

2012 ◽  
Vol 68 (10) ◽  
pp. m291-m294
Author(s):  
Andrey B. Lysenko
Keyword(s):  
Hydrogen Bond ◽  
Three Dimensional ◽  
Organic Ligand ◽  
Chain Structure ◽  
Polar Space ◽  
Hydrogen Bond Donor ◽  
Donor Acceptor ◽  
A Chain ◽  
Water Ligands ◽  
Hydrogen Bonded

5-[4-(1,2,4-Triazol-4-yl)phenyl]-1H-tetrazole, C9H7N7, (I), an asymmetric heterobifunctional organic ligand containing triazole (tr) and tetrazole (tz) termini linked directly through a 1,4-phenylene spacer, crystallizes in the polar space groupPc. The heterocyclic functions, serving as single hydrogen-bond donor (tz) or acceptor (tr) units, afford hydrogen-bonded zigzag chains with no crystallographic centre of inversion. In the structure ofcatena-poly[[diaquacadmium(II)]bis{μ2-5-[4-(1,2,4-triazol-4-yl)phenyl]tetrazol-1-ido-κ2N1:N1′}], [Cd(C9H6N7)2(H2O)2]n, (II), the CdIIdication resides on a centre of inversion in an octahedral {N4O2} environment. In the equatorial plane, the CdIIpolyhedron is built up from four N atoms of two kinds, namely oftrans-coordinating tr and tz fragments [Cd—N = 2.2926 (17) and 2.3603 (18) Å], and the coordinating aqua ligands occupy the two apical sites. The metal centres are separated at a distance of 11.1006 (7) Å by means of the double-bridging tetrazolate anion,L−, forming a chain structure. The water ligands and tz fragments interact with one another, like a double hydrogen-bond donor–acceptor synthon, leading to a hydrogen-bonded three-dimensional array.

Identifying Selective Host–Guest Interactions Based on Hydrogen Bond Donor–Acceptor Pattern in Functionalized Al-MIL-53 Metal–Organic Frameworks

2013 ◽  
Vol 117 (39) ◽  
pp. 19991-20001 ◽  
Author(s):  
Julia Wack ◽  
Renée Siegel ◽  
Tim Ahnfeldt ◽  
Norbert Stock ◽  
Luís Mafra ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Metal Organic Frameworks ◽  
Hydrogen Bond Donor ◽  
Donor Acceptor ◽  
Metal Organic

Infrared spectroscopic characterization of hydrogen-bonded propylene oxide − ethanol and propylene oxide − 2-fluoroethanol complexes isolated in solid neon matrices

2013 ◽  
Vol 91 (12) ◽  
pp. 1292-1302 ◽  
Author(s):  
Osama Y. Ali ◽  
Elyse Jewer ◽  
Travis D. Fridgen
Keyword(s):  
Hydrogen Bond ◽  
Propylene Oxide ◽  
Spectroscopic Characterization ◽  
Hydrogen Bond Donor ◽  
Hydrogen Bond Acceptor ◽  
Reduced Frequency ◽  
Enthalpy Of Proton Transfer ◽  
The Difference ◽  
Bonded Complexes ◽  
Hydrogen Bonded

The infrared absorption spectra of hydrogen-bonded complexes of propylene oxide with either ethanol or 2-fluoroethanol have been recorded in neon matrices. Mixtures of propylene oxide and ethanol or propylene oxide and 2-fluoroethanol vapors were mixed with an excess of neon gas and deposited onto a KBr substrate at 4.2 K. The results indicate that hydrogen-bonded complexes were formed with propylene oxide as the hydrogen bond acceptor and either ethanol or 2-fluoroethanol as the hydrogen bond donors. The features assigned to the O−H stretch were red-shifted by 175 and 193 cm−1 for the ethanol- and 2-fluoroethanol-containing complexes, respectively. The difference in red shifts can be accounted for due to the greater acidity of 2-fluroethanol. Deuterium isotope experiments were conducted to help confirm the assignment of the O–H stretch for the complexes. As well, structures and infrared spectra were calculated using B3LYP/6-311++G(2d,2p) calculations and were used to compare with the experimental spectra. A “scaling equation” rather than a scaling factor was used and is shown to greatly increase the utility of the calculations when comparing with experimental spectra. An examination of the O–H stretching red shifts for many hydrogen-bound complexes reveals a relationship between the shift and the difference between the acidity of the hydrogen bond donor and the basicity of the hydrogen bond acceptor (the enthalpy of proton transfer). Both hydrogen-bonded complexes and proton-bound complexes appear to have a maximum in the reduced frequency value that corresponds to complexes where the hydrogen/proton are equally shared between the two bases.

A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups

2005 ◽  
Vol 44 (10) ◽  
pp. 3380-3382 ◽  
Author(s):  
Stéphane A. Baudron ◽  
Narcis Avarvari ◽  
Patrick Batail
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bond Donor ◽  
Donor Acceptor

scholarly journals Conformation-Dependent Photophysics of Bifunctional Hydrogen Bond Donor/Acceptor Molecules

2007 ◽  
Vol 112 (Supplement) ◽  
pp. S-105-S-120 ◽  
Author(s):  
M. Kijak ◽  
I. Petkova ◽  
M. Toczek ◽  
G. Wiosna-Sałyga ◽  
A. Zielińska ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bond Donor ◽  
Donor Acceptor ◽  
Acceptor Molecules

scholarly journals Febuxostat ethanol monosolvate

2020 ◽  
Vol 76 (6) ◽  
pp. 816-819
Author(s):  
Thomas Gelbrich ◽  
Volker Kahlenberg ◽  
Verena Adamer ◽  
Sven Nerdinger ◽  
Ulrich J. Griesser
Keyword(s):  
Hydrogen Bond ◽  
Carboxylic Acid ◽  
Title Compound ◽  
Chain Structure ◽  
Hydroxyl Group ◽  
Carboxyl Group ◽  
Hydrogen Bond Donor ◽  
Ethanol Molecule ◽  
Hydrogen Bonded

The title compound, 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid ethanol monosolvate, C16H16N2O3S·C2H6O, (I), displays intermolecular O—H...O and O—H...N bonds in which the carboxyl group of the febuxostat molecule and the hydroxyl group of the ethanol molecule serve as hydrogen-bond donor sites. These interactions result in a helical hydrogen-bonded chain structure. The title structure is isostructural with a previously reported methanol analogue.

scholarly journals Exploiting the Hydrogen Bond Donor/Acceptor Properties of PN‐Heterocycles: Selective Anion Receptors for Hydrogen Sulfate

2019 ◽  
Vol 131 (12) ◽  
pp. 3974-3978 ◽  
Author(s):  
Chun‐Lin Deng ◽  
Jeremy P. Bard ◽  
Jessica A. Lohrman ◽  
Joshua E. Barker ◽  
Lev N. Zakharov ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Anion Receptors ◽  
Hydrogen Sulfate ◽  
Hydrogen Bond Donor ◽  
Donor Acceptor

Hydrogen-bonded liquid crystals. Novel mesogens incorporating nonmesogenic bipyridyl compounds through complexation between hydrogen-bond donor and acceptor moieties

1993 ◽  
Vol 5 (8) ◽  
pp. 1094-1100 ◽  
Author(s):  
Takashi Kato ◽  
Jean M. J. Frechet ◽  
Paul G. Wilson ◽  
Takeshi Saito ◽  
Toshiyuki Uryu ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Liquid Crystals ◽  
Hydrogen Bond Donor ◽  
Donor And Acceptor ◽  
Hydrogen Bonded
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