Molecular structure and hydrogen bonding of 1,4-diazoniabicyclo[2.2.2]octane-1,4-diacetate in its crystalline trihydrate and trihydrated hydrochloric acid adduct

1997 ◽  
Vol 27 (1) ◽  
pp. 11-17 ◽  
Author(s):  
De-Dong Wu ◽  
Thomas C.W. Mak
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonding ◽  
Hydrochloric Acid ◽  
Acid Adduct

scholarly journals Vibrational Resonant Inelastic X-Ray Scattering Inliquid Acetic Acid: A Ruler for Molecular Chain Lengths

2020 ◽  
Author(s):  
Viktoriia Savchenko ◽  
Iulia-Emilia Brumboiu ◽  
Victor Kimberg ◽  
Michael Odelius ◽  
Pavel Krasnov ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonding ◽  
Acetic Acid ◽  
Molecular Chain ◽  
X Ray ◽  
X Ray Scattering ◽  
Localized Excitations ◽  
Vibrational Excitations ◽  
Chain Lengths ◽  
Ray Scattering

Abstract Quenching of vibrational excitations in resonant inelastic X-ray scattering (RIXS) spectra of liquid acetic acid is observed. At the oxygen core resonance associated with localized excitations at the O-H bond, the spectra lack the typical progressionof vibrational excitations observed in RIXS spectra of comparable systems. We interpret this phenomenon as due to strong rehybridization of the unoccupied molecular orbitals as a result of hydrogen bonding. This allows us to address the molecular structure of the liquid, and to determine a lower limit for the average molecular chain length.

Isopropyl N-Arylmalonamates. Synthesis, Structure, Conformation and Reactions with Carbon Disulfide

2006 ◽  
Vol 71 (1) ◽  
pp. 59-76 ◽  
Author(s):  
Wolf-Dieter Rudorf ◽  
Dušan Loos ◽  
Joanna Wybraniec ◽  
Naďa Prónayová ◽  
Ryszard Gawinecki ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonding ◽  
Carbon Disulfide ◽  
Aromatic Amines ◽  
Alkylating Agent ◽  
Sodium Hydride ◽  
Open Chain ◽  
Ketene Dithioacetals ◽  
Correlation Analyses ◽  
C Nmr

Acylation of aromatic amines 1 with diisopropyl malonate (2) leads to a mixture of isopropyl N-arylmalonamates 3 and malonanilides 4. The reaction of 3 with carbon disulfide in the presence of sodium hydride gives disodium salts 5. Treatment of 5 with an alkylating agent yields the open-chain or cyclic ketene dithioacetals 6, 7 or 8. The molecular structure, hydrogen bonding and preferential conformation of the isopropyl N-arylmalonamates 3, 6 and 7 were investigated using correlation analyses of IR, 13C NMR and AM1 semiempirical data.

Molecular structure, hydrogen-bonding patterns and topological analysis (QTAIM and NCI) of 5-methoxy-2-nitroaniline and 5-methoxy-2-nitroaniline with 2-amino-5-nitropyridine (1:1) co-crystal

2016 ◽  
Vol 1119 ◽  
pp. 505-516 ◽  
Author(s):  
Javier Hernández-Paredes ◽  
Roberto C. Carrillo-Torres ◽  
Alonso A. López-Zavala ◽  
Rogerio R. Sotelo-Mundo ◽  
Ofelia Hernández-Negrete ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonding ◽  
Topological Analysis ◽  
Bonding Patterns

Electrostatics, Hydrogen Bonding, and Molecular Structure at Polycation and Peptide:Lipid Membrane Interfaces

2019 ◽  
Vol 12 (19) ◽  
pp. 21149-21158 ◽  
Author(s):  
Naomi Dalchand ◽  
Qiang Cui ◽  
Franz M. Geiger
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonding ◽  
Membrane Interfaces

Molecular structure, hydrogen bonding, basicity and spectroscopic properties of N,N′-dimethylpiperazine betaines and their hydrohalides

2002 ◽  
Vol 614 (1-3) ◽  
pp. 23-32 ◽  
Author(s):  
Z. Dega-Szafran ◽  
M. Jaskólski ◽  
I. Kurzyca ◽  
P. Barczyński ◽  
M. Szafran
Keyword(s):  
Molecular Structure ◽  
Hydrogen Bonding ◽  
Spectroscopic Properties
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