Solid-state and inclusion properties of hydrogen-bonded 1,3-cyclohexanedione cyclamers

1990 ◽  
Vol 8 (4) ◽  
pp. 395-407 ◽  
Author(s):  
Margaret C. Etter ◽  
Diana L. Parker ◽  
Shiyamalie R. Ruberu ◽  
Thomas W. Panunto ◽  
Doyle Britton
Keyword(s):  
Solid State ◽  
Inclusion Properties ◽  
Hydrogen Bonded

scholarly journals Spectroscopic, X-ray Diffraction and Density Functional Theory Study of Intra- and Intermolecular Hydrogen Bonds in Ortho-(4-tolylsulfonamido)benzamides

Molecules ◽  
2021 ◽  
Vol 26 (4) ◽  
pp. 926
Author(s):  
Malose J. Mphahlele ◽  
Eugene E. Onwu ◽  
Marole M. Maluleka
Keyword(s):  
Density Functional Theory ◽  
Solid State ◽  
Hydrogen Bonds ◽  
Density Functional ◽  
Tetrahedral Geometry ◽  
Hindered Rotation ◽  
Hydrogen Bond Acceptor ◽  
Functional Theory ◽  
Vis Spectroscopy ◽  
Hydrogen Bonded

The conformations of the title compounds were determined in solution (NMR and UV-Vis spectroscopy) and in the solid state (FT-IR and XRD), complemented with density functional theory (DFT) in the gas phase. The nonequivalence of the amide protons of these compounds due to the hindered rotation of the C(O)–NH2 single bond resulted in two distinct resonances of different chemical shift values in the aromatic region of their 1H-NMR spectra. Intramolecular hydrogen bonding interactions between the carbonyl oxygen and the sulfonamide hydrogen atom were observed in the solution phase and solid state. XRD confirmed the ability of the amide moiety of this class of compounds to function as a hydrogen bond acceptor to form a six-membered hydrogen bonded ring and a donor simultaneously to form intermolecular hydrogen bonded complexes of the type N–H···O=S. The distorted tetrahedral geometry of the sulfur atom resulted in a deviation of the sulfonamide moiety from co-planarity of the anthranilamide scaffold, and this geometry enabled oxygen atoms to form hydrogen bonds in higher dimensions.

Hydrogen Elimination and Solid-State Reaction in Hydrogen-Bonded Systems under Pressure:  The Case of HBr

2000 ◽  
Vol 104 (49) ◽  
pp. 11801-11804 ◽  
Author(s):  
Takashi Ikeda ◽  
Michiel Sprik ◽  
Kiyoyuki Terakura ◽  
Michele Parrinello
Keyword(s):  
Solid State ◽  
Solid State Reaction ◽  
Hydrogen Elimination ◽  
Hydrogen Bonded Systems ◽  
Hydrogen Bonded

scholarly journals Tuning the Inclusion Properties and Solid-State Reactivity of Second Sphere Adducts Using Conformationally Flexible Bidentate Ligands

2015 ◽  
Vol 15 (6) ◽  
pp. 2842-2852 ◽  
Author(s):  
Fang Guo ◽  
Xu Wang ◽  
Hong-yu Guan ◽  
Hai-bin Yu ◽  
Lei Li ◽  
...  
Keyword(s):  
Solid State ◽  
Bidentate Ligands ◽  
Inclusion Properties

Putting Cocrystal Stoichiometry to Work: A Reactive Hydrogen-Bonded “Superassembly” Enables Nanoscale Enlargement of a Metal–Organic Rhomboid via a Solid-State Photocycloaddition

2018 ◽  
Vol 140 (14) ◽  
pp. 4940-4944 ◽  
Author(s):  
Qianli Chu ◽  
Andrew J. E. Duncan ◽  
Giannis S. Papaefstathiou ◽  
Tamara D. Hamilton ◽  
Manza B. J. Atkinson ◽  
...  
Keyword(s):  
Solid State ◽  
Metal Organic ◽  
Hydrogen Bonded

Hydrogen bonded dimers of ketocoumarin in the solid state and alcohol:water binary solvent: fluorescence spectroscopy, crystal structure and DFT investigation

2019 ◽  
Vol 43 (23) ◽  
pp. 9090-9105 ◽  
Author(s):  
Kannan Ramamurthy ◽  
E. J. Padma Malar ◽  
Chellappan Selvaraju
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Binary Mixture ◽  
Fluorescence Spectroscopy ◽  
Emission Spectrum ◽  
Fluorescence Emission ◽  
Binary Solvent ◽  
Fluorescence Emission Spectrum ◽  
Hydrogen Bonded

Fluorescence emission spectrum of ketocoumarin dimers in an alcohol:water binary mixture and the solid state.

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