Vibrational Frequency Shifts of the Carbonyl Stretching Mode Induced by Solvents: Acetone

1989 ◽  
Vol 43 (6) ◽  
pp. 1053-1055 ◽  
Author(s):  
R. A. Nyquist ◽  
T. M. Kirchner ◽  
H. A. Fouchea
Keyword(s):  
Hydrogen Bonding ◽  
Vibrational Frequency ◽  
Molecular Geometry ◽  
Intermolecular Hydrogen Bonding ◽  
Acceptor Number ◽  
Frequency Shifts ◽  
Solvent Interaction ◽  
Precise Measure ◽  
Solvent Systems ◽  
Solute Solvent Interaction

Variation in the correlations obtained between electron acceptor number (AN) values for each solvent versus the vC=O frequencies for acetone and tetramethylurea in solution with these solvents suggests that the AN values are not a precise measure of solute/solvent interaction for all solute/solvent systems. Factors such as intermolecular hydrogen bonding between solute and solvent and the differences between molecular geometry of the solutes and solvents most likely account for differences in the solute/solvent interaction for different solutes in the same solvents.

Infrared Study of 4- and 3-Substituted Anilines in Hexane, Carbon Tetrachloride, or Chloroform (0.5% or Less) Solutions

1992 ◽  
Vol 46 (8) ◽  
pp. 1273-1278 ◽  
Author(s):  
R. A. Nyquist ◽  
D. A. Luoma ◽  
C. W. Puehl
Keyword(s):  
Hydrogen Bonding ◽  
Bond Angle ◽  
Frequency Separation ◽  
Intermolecular Hydrogen Bonding ◽  
Substituted Anilines ◽  
Infrared Study ◽  
Solvent Interaction ◽  
Solute Solvent Interaction ◽  
Cl Atoms ◽  
Ir Bands

As the NH2 bond angle increases, both vasym NH2 and vsym. NH2 increase in frequency, and the frequency separation between vasym. NH2 and vsym. NH2 increases as the Hammett σp and σm values increase (increasing electron withdrawing power). The NH2 bond angles change with solute/solvent interaction. In CHCl3 solution IR bands are observed for two sets of vasym. NH2 and vsym. NH2 frequencies. It is suggested that this is the result of intermolecular hydrogen bonding between H2N and HCCl3 and between NH2 and Cl(HCl2)2. In CCl4 solution the intermolecular hydrogen bonding between the NH2 protons and the Cl atoms of CCl4 is stronger than between the Cl atoms of CHCl3.

scholarly journals {N 1-[2-(Butylselanyl)benzyl]-N 2,N 2-dimethylethane-1,2-diamine}dichloridomercury(II)

2018 ◽  
Vol 74 (8) ◽  
pp. 1151-1154
Author(s):  
Pushpendra Singh ◽  
Harkesh B. Singh ◽  
Ray J. Butcher
Keyword(s):  
Hydrogen Bonding ◽  
Solid State ◽  
Self Assembly ◽  
Title Compound ◽  
Supramolecular Assembly ◽  
Molecular Geometry ◽  
The Self ◽  
Intermolecular Hydrogen Bonding ◽  
Hydrogen Bonding Interactions ◽  
Donor Acceptor

In the title compound, [HgCl2(C16H28N2Se)], the primary geometry around the Se and Hg atoms is distorted trigonal–pyramidal and distorted square-pyramidal, respectively. The distortion of the molecular geometry in the complex is caused by the steric demands of the ligands attached to the Se atom. The Hg atom is coordinated through two chloride anions, an N atom and an Se atom, making up an unusual HgNSeCl2 coordination sphere with an additional long Hg...N interaction. Intermolecular C—H...Cl interactions are the only identified intermolecular hydrogen-bonding interactions that seem to be responsible for the self assembly. These relatively weak C—H...Cl hydrogen bonds possess the required linearity and donor–acceptor distances. They act as molecular associative forces that result in a supramolecular assembly along the b-axis direction in the solid state of the title compound.

Infrared Study of Some Organophosphorus Esters in Carbon Tetrachloride and/or Chloroform 1% Solutions

1992 ◽  
Vol 46 (10) ◽  
pp. 1564-1574 ◽  
Author(s):  
R. A. Nyquist ◽  
C. W. Puehl
Keyword(s):  
Carbon Tetrachloride ◽  
Functional Groups ◽  
Solvent System ◽  
Infrared Study ◽  
Solvent Interaction ◽  
Rotational Isomers ◽  
Solvent Systems ◽  
Solute Solvent Interaction ◽  
Organophosphorus Esters

Solvent systems such as CHCl3/CCl4 or CDCl3/CCl4 are useful in showing that organophosphorus esters do exist as rotational isomers in solution. The functional groups such as P=O and POR in organophosphorus esters are the sites of solute/solvent interaction, since their group frequencies are more affected than group frequencies arising primarily within the R group of the organophosphorus esters. This study also shows that different complexes are formed between the solute and solvent systems as well as within the solvent system as the mole % CHCl3/CCl4 or CDCl3/CCl4 increases.

scholarly journals New chair shaped supramolecular complexes-based aryl nicotinate derivative; mesomorphic properties and DFT molecular geometry

RSC Advances ◽  
2019 ◽  
Vol 9 (29) ◽  
pp. 16366-16374 ◽  
Author(s):  
H. A. Ahmed ◽  
M. Hagar ◽  
O. A. Alhaddad
Keyword(s):  
Hydrogen Bonding ◽  
Liquid Crystalline ◽  
Molecular Geometry ◽  
Supramolecular Complexes ◽  
Intermolecular Hydrogen Bonding ◽  
Mesomorphic Properties ◽  
Methyl Phenyl

A new series of chair-shaped liquid crystalline complexes were formed through 1 : 1 intermolecular hydrogen bonding between 4-(4-(hexyloxyphenylimino)methyl)phenyl nicotinate and 4-alkoxybenzoic acids, with different alkoxy chains.

The Py scale of solvent polarities

1984 ◽  
Vol 62 (11) ◽  
pp. 2560-2565 ◽  
Author(s):  
Dao Cong Dong ◽  
Mitchell A. Winnik
Keyword(s):  
Hydrogen Bonding ◽  
Dimethyl Sulfoxide ◽  
Vapor Phase ◽  
Solvent Polarity ◽  
Solvent Interaction ◽  
Pyrene Fluorescence ◽  
Solute Solvent Interaction

The relative intensities I1/I3 of the vibronic bands of pyrene fluorescence in 94 solvents and the vapor phase are reported. These values, ranging from 0.47 (vapor) to 1.95 (dimethyl sulfoxide) form the Py scale of solvent polarities. This scale is compared to other scales of solvent polarity, particularly the π* scale of Kamlet and Taft in order to assess the contributions of various factors (dipolarity/polarizability, hydrogen bonding, etc.) to the solute–solvent interaction.

Vibrational Spectra of Aminoacetonitrile

1975 ◽  
Vol 53 (19) ◽  
pp. 2183-2188 ◽  
Author(s):  
B. Bak ◽  
E. L. Hansen ◽  
F. M. Nicolaisen ◽  
O. F. Nielsen
Keyword(s):  
Hydrogen Bonding ◽  
Raman Spectrum ◽  
Vibration Analysis ◽  
Normal Vibration ◽  
Intramolecular Hydrogen Bonding ◽  
Intermolecular Hydrogen Bonding ◽  
Frequency Shifts ◽  
Intramolecular Hydrogen ◽  
Normal Vibration Analysis ◽  
Infrared Data

The preparation of pure, stable aminoacetonitrile (1-amino-, 1′-cyanomethane) CH2NH2CN (1) is described. The Raman spectrum, now complete, and a novel infrared spectrum extending over the 50–3600 cm−1 region are reported. A tentative normal vibration analysis is presented and supported by Raman and infrared data from the spectra of CH2NHDCN (2) and CH2ND2CN (3), the interpretation being compatible with Cs symmetry (1 and 3) in accordance with McDonald and Tyler's results from microwave studies of 1, 2, and 3. The predominance of the trans rotamer may be attributed to intramolecular hydrogen bonding but this is too unimportant to influence the vibrational frequencies of gaseous 1, 2, and 3. However, large gas/liquid frequency shifts occur, quite possibly due to intermolecular hydrogen bonding in the liquid phase.

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