Structural investigation of the self-condensation products of o-aminobenzaldehyde, anthranilic acid and related compounds. 1. The TAAB salts TAABH2 X 2 [X = picrate (ordered), HSO4 (disordered) and BF4 (disordered)]. Hydrogen bonding and the importance of two non-equivalent lone-pair donor sites in the anion for order

1988 ◽  
Vol 44 (1) ◽  
pp. 39-50 ◽  
Author(s):  
P. G. Owston ◽  
L. S. Shaw (née Gözen)
Keyword(s):  
Hydrogen Bonding ◽  
Anthranilic Acid ◽  
Structural Investigation ◽  
Lone Pair ◽  
The Self ◽  
Condensation Products ◽  
Related Compounds

Hydrophobic interaction and hydrogen bonding driving the self-assembling of quinoa protein and flavonoids

2021 ◽  
pp. 106807
Author(s):  
Kang Liu ◽  
Xue-Qiang Zha ◽  
Qiang-Ming Li ◽  
Li-Hua Pan ◽  
Jian-Ping Luo
Keyword(s):  
Hydrogen Bonding ◽  
Hydrophobic Interaction ◽  
The Self ◽  
Self Assembling

scholarly journals Theoretical Study of the Structures of 4-(2,3,5,6-Tetrafluoropyridyl)Diphenylphosphine Oxide and Tris(Pentafluorophenyl)Phosphine Oxide: Why Does the Crystal Structure of (Tetrafluoropyridyl)Diphenylphosphine Oxide Have Two Different P=O Bond Lengths?

Molecules ◽  
2020 ◽  
Vol 25 (12) ◽  
pp. 2778
Author(s):  
Joseph R. Lane ◽  
Graham C. Saunders
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Phosphine Oxide ◽  
Density Functional ◽  
Lone Pair ◽  
Diphenylphosphine Oxide ◽  
Functional Theory ◽  
Weak Hydrogen Bonding ◽  
Independent Molecules ◽  
The Difference

The crystal structure of 4-(2,3,5,6-tetrafluoropyridyl)diphenylphosphine oxide (1) contains two independent molecules in the asymmetric unit. Although the molecules are virtually identical in all other aspects, the P=O bond distances differ by ca. 0.02 Å. In contrast, although tris(pentafluorophenyl)phosphine oxide (2) has a similar crystal structure, the P=O bond distances of the two independent molecules are identical. To investigate the reason for the difference, a density functional theory study was undertaken. Both structures comprise chains of molecules. The attraction between molecules of 1, which comprises lone pair–π, weak hydrogen bonding and C–H∙∙∙arene interactions, has energies of 70 and 71 kJ mol−1. The attraction between molecules of 2 comprises two lone pair–π interactions, and has energies of 99 and 100 kJ mol−1. There is weak hydrogen bonding between molecules of adjacent chains involving the oxygen atom of 1. For one molecule, this interaction is with a symmetry independent molecule, whereas for the other, it also occurs with a symmetry related molecule. This provides a reason for the difference in P=O distance. This interaction is not possible for 2, and so there is no difference between the P=O distances of 2.

Recording the Self-Assembly Behavior of Nanomaterials Directed by Hydrogen Bonding

2021 ◽  
Author(s):  
Ganghuo Pan ◽  
Jie Leng ◽  
Liye Deng ◽  
Liwen Xing ◽  
Rui Feng
Keyword(s):  
Hydrogen Bonding ◽  
Self Assembly ◽  
The Self ◽  
Assembly Behavior

scholarly journals The N-atom in [N(PR3)2]+ cations (R = Ph, Me) can act as electron donor for (pseudo) anti-electrostatic interactions

CrystEngComm ◽  
2015 ◽  
Vol 17 (20) ◽  
pp. 3768-3771 ◽  
Author(s):  
Antonio Bauzá ◽  
Antonio Frontera ◽  
Tiddo J. Mooibroek ◽  
Jan Reedijk
Keyword(s):  
Hydrogen Bonding ◽  
Electron Donor ◽  
Molecular Hydrogen ◽  
Electrostatic Interactions ◽  
Lone Pair ◽  
Dft Study ◽  
Nitrogen Lone Pair

A CSD analysis and DFT study reveal that the nitrogen lone-pair in [N(PPh3)2]+ is partially intact and involved in intramolecular hydrogen bonding.

Self-promoted post-synthetic modification of metal–ligand M2L3 mesocates

2014 ◽  
Vol 50 (11) ◽  
pp. 1378-1380 ◽  
Author(s):  
Michael C. Young ◽  
Amber M. Johnson ◽  
Richard J. Hooley
Keyword(s):  
Hydrogen Bonding ◽  
Intramolecular Hydrogen Bonding ◽  
The Self ◽  
Self Assembled ◽  
Intramolecular Hydrogen ◽  
Metal Ligand

Self-assembled FeII-iminopyridine mesocates can be post-synthetically modified upon treatment with suitable isocyanates. The self-assembled mesocates promote their own reaction via intramolecular hydrogen bonding.

Photoelectron studies on intramolecularly hydrogen-bonded systems. I. The photoelectron spectra of cis- and trans-2-aminocyclopentanol, and cis- and trans-2-(N,N-dimethylamino)cyclopentanol

1976 ◽  
Vol 54 (4) ◽  
pp. 642-646 ◽  
Author(s):  
R. S. Brown
Keyword(s):  
Hydrogen Bonding ◽  
Ionization Energy ◽  
Lone Pair ◽  
Intramolecular Hydrogen Bonding ◽  
Photoelectron Spectra ◽  
Hydrogen Bonded Systems ◽  
Intramolecular Hydrogen ◽  
Cis And Trans ◽  
Infrared Data ◽  
Hydrogen Bonded

The photoelectron spectra of cis- and trans-2-aminocyclopentanol and cis- and trans-2-(N,N,-dimethylamino)cyclopentanol have been recorded and interpreted. The cis isomers exhibit N lone pair ionizations at higher ionization energy, and O lone pair ionizations at lower ionization energy than their trans isomers.The results are most consistent with the existence and observation of intramolecular hydrogen-bonding in the cis isomers. Infrared data on these systems also show that the cis isomers exist in the intramolecularly hydrogen-bonded state.

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