Spectroscopic characterization of microscopic hydrogen-bonding disparities in supercritical water

2005 ◽  
Vol 123 (15) ◽  
pp. 154503 ◽  
Author(s):  
Ph. Wernet ◽  
D. Testemale ◽  
J.-L. Hazemann ◽  
R. Argoud ◽  
P. Glatzel ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Supercritical Water ◽  
Spectroscopic Characterization

scholarly journals Crystallographic and spectroscopic characterization of 3-chloro-5-fluorosalicylaldehyde

2020 ◽  
Vol 76 (12) ◽  
pp. 1810-1812
Author(s):  
Christopher T. Triggs ◽  
Joseph M. Tanski
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Intramolecular Hydrogen Bonding ◽  
Spectroscopic Characterization ◽  
Face To Face ◽  
Π Stacking ◽  
Intramolecular Hydrogen

The title compound (systematic name: 3-chloro-5-fluoro-2-hydroxybenzaldehyde), C7H4ClFO2, is a dihalogenated salicylaldehyde derivative that has been studied for its antibacterial characteristics. The salicylaldehyde engages in intramolecular hydrogen bonding with an O—H...O distance of 2.6231 (19) Å while the molecules pack together via weak intermolecular C—H...O, C—H...F and F...O interactions and offset face-to-face π-stacking.

scholarly journals Crystallographic and spectroscopic characterization of (R)-O-acetylmandelic acid

2016 ◽  
Vol 72 (7) ◽  
pp. 901-903
Author(s):  
Cady Cirbes ◽  
Joseph M. Tanski
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Mandelic Acid ◽  
Phenylacetic Acid ◽  
Spectroscopic Characterization ◽  
Acid Group ◽  
Intermolecular Hydrogen Bonding ◽  
Carboxylic Acid Group ◽  
Donor Acceptor

The title compound [systematic name: (R)-(−)-2-acetoxy-2-phenylacetic acid], C10H10O4, is a resolved chiral ester derivative of mandelic acid. The compound contains an acetate group and a carboxylic acid group, which engage in intermolecular hydrogen bonding, forming chains extending parallel to [001] with a short donor–acceptor hydrogen-bonding distance of 2.676 (2) Å.

Preparation, Crystal Structure and Spectroscopic Characterization of [Ga(OH)(SO4)(terpy)(H2O)] · H2O (terpy=2,2’:6’,2-Terpyridine): The First Characterized Gallium(III) Sulfato Complex

2004 ◽  
Vol 59 (3) ◽  
pp. 291-297 ◽  
Author(s):  
Andreas Sofetis ◽  
Giannis S. Papaefstathiou ◽  
Aris Terzis ◽  
Catherine P. Raptopoulou ◽  
Theodoros F. Zafiropoulos
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Nmr Spectroscopy ◽  
Good Yield ◽  
Spectroscopic Data ◽  
Spectroscopic Characterization ◽  
X Ray ◽  
X Ray Crystallography ◽  
H Nmr

The reaction of Ga2(SO4)3·18H2O and excess 2,2′:6′,2″-terpyridine (terpy) in MeOH / H2O leads to [Ga(OH)(SO4)(terpy)(H2O)]·H2O (1·H2O] in good yield. The structure of the complex has been determined by single-crystal X-ray crystallography. The GaIII atom in 1·H2O is 6-coordinate and ligation is provided by one terdentate terpy molecule, one monodentate sulfate, one terminal hydroxide and one terminal H2O molecule; the coodination polyhedron about the metal is described as a distorted octahedron. There is an extensive hydrogen-bonding network in the crystal structure which generates corrugated layers parallel to bc. The new complex was characterized by IR and 1H NMR spectroscopy. The spectroscopic data are discussed in terms of the nature of bonding

Crystal Structure of and ab initio Calculations on [(C6H5)(CH3)CH-NH]- P(O)(p-OC6H4CH3)2, Syntheses and Spectroscopic Characterization of N-Benzyl Phosphoramidic Acid (4-Methylphenyl)ester Derivatives

2005 ◽  
Vol 60 (1) ◽  
pp. 67-74 ◽  
Author(s):  
Khodayar Gholivand ◽  
Zahra Shariatinia ◽  
Mehrdad Pourayoubi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Spectroscopic Characterization ◽  
Crystalline Lattice ◽  
Independent Molecule ◽  
Nmr Data ◽  
Independent Molecules

Some new N-benzyl phosphoramidic acid (4-methylphenyl)ester derivatives were synthesized and characterized by 1H, 13C, 31P NMR and IR spectroscopy and elemental analysis. The structure of [(C6H5)(CH3)CH-NH]P(O)(p-OC6H4CH3)2 (2) was investigated. This compound exists in polymeric zigzag chains in the crystalline lattice produced by hydrogen bonding built from two alternating independent molecules. NMR data indicate two diastereotopic p-cresol groups as confirmed by Xray crystallography. Ab initio calculations were performed on the geometry of compound 2 at the UHF/6-311G** and B3LYP/6-311G** levels. The optimized structure of each independent molecule contains two different p-cresol groups, in agreement with the experimental results.

scholarly journals Crystallographic and spectroscopic characterization of 4-nitro-2-(trifluoromethyl)benzoic acid and 4-nitro-3-(trifluoromethyl)benzoic acid

2019 ◽  
Vol 75 (4) ◽  
pp. 524-528
Author(s):  
George L. Diehl III ◽  
Lisa Je ◽  
Joseph M. Tanski
Keyword(s):  
Hydrogen Bonding ◽  
Carboxylic Acid ◽  
Benzoic Acid ◽  
Nitro Group ◽  
Spectroscopic Characterization ◽  
Acid Group ◽  
Carboxylic Acid Group ◽  
Donor Acceptor ◽  
Graph Set

The title compounds, both C8H4F3NO4, represent two isomers of nitro trifluoromethyl benzoic acid. The compounds each contain a nitro functionality para to the carboxylic acid group, with the trifluoromethyl substituent ortho to the acid group in the 2-isomer and ortho to the nitro group in the 3-isomer. The regiochemistry with respect to the trifluoromethyl group results in steric interactions that rotate the carboxylic acid group or the nitro group out of the aromatic plane in the 2- and 3-isomer, respectively. Each molecule engages in intermolecular hydrogen bonding, forming head-to-tail dimers with graph-set notation R 2 2(8) and donor–acceptor hydrogen-bonding distances of 2.7042 (14) Å in the 2-isomer and 2.6337 (16) in the 3-isomer. Recrystallization attempts did not yield untwinned crystals.

Spectroscopic Characterization of Hydrogen Bonding in Poly(urethane−rotaxane)s

1996 ◽  
Vol 29 (7) ◽  
pp. 2555-2562 ◽  
Author(s):  
Eva Marand ◽  
Qinchun Hu ◽  
Harry W. Gibson ◽  
Boris Veytsman
Keyword(s):  
Hydrogen Bonding ◽  
Spectroscopic Characterization

scholarly journals Supramolecular assembly and spectroscopic characterization of indolenine–barbituric acid zwitterions

2021 ◽  
Author(s):  
Abdul Qaiyum Ramle ◽  
Edward R. T. Tiekink ◽  
Chee Chin Fei ◽  
Nurhidayatullaili Muhd. Julkapli ◽  
Wan Jefrey Basirun
Keyword(s):  
Hydrogen Bonding ◽  
Barbituric Acid ◽  
Supramolecular Assembly ◽  
Spectroscopic Characterization ◽  
Intermolecular Hydrogen Bonding ◽  
Hypsochromic Shift ◽  
Protic Solvents ◽  
Supramolecular Aggregation

The intermolecular hydrogen bonding of barbiturates assists in the supramolecular aggregation and a hypsochromic shift is shown in protic solvents.

scholarly journals Spectroscopic characterization of hydrogen bonding of ethanol in hydrocarbons for applied evaporative modeling

2020 ◽  
Author(s):  
Carl Lira ◽  
William G Killian ◽  
Aseel M Bala ◽  
Lars Peereboom ◽  
Jackson A Storer ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Spectroscopic Characterization
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