Halogen bonding to a divalent sulfur atom: an experimental study of the interactions of CF3X (X = Cl, Br, I) with dimethyl sulfide

2011 ◽  
Vol 13 (21) ◽  
pp. 10204 ◽  
Author(s):  
Dieter Hauchecorne ◽  
Alessio Moiana ◽  
Benjamin J. van der Veken ◽  
Wouter A. Herrebout
Keyword(s):  
Experimental Study ◽  
Sulfur Atom ◽  
Dimethyl Sulfide ◽  
Halogen Bonding ◽  
Divalent Sulfur

Aromaticity in heterocyclic molecules containing divalent sulfur

1988 ◽  
Vol 53 (9) ◽  
pp. 2023-2054 ◽  
Author(s):  
Milan Randić ◽  
Sonja Nikolić ◽  
Nenad Trinajstić
Keyword(s):  
Sulfur Atom ◽  
Positional Isomers ◽  
Heterocyclic Molecules ◽  
Resonance Energies ◽  
Conjugated Circuits ◽  
Divalent Sulfur

The conjugated circuits model is applied to heterocycles containing divalent sulfur. A novel parametrization is introduced for 4n + 2 and 4n conjugated circuits containing a single sulfur atom. The relative aromatic stabilities of a number of heterocyclic systems containing divalent sulfur are studied. Comparison is made whenever possible with earlier reported resonance energies of these compounds, obtained by using Huckel MO and SCF π-MO models, and appropriate reference structures. Special attention is given to positional isomers. An explanation of the differences amongst such isomers is given.

Reactions of Cl Atoms with Dimethyl Sulfide:  A Theoretical Calculation and an Experimental Study with Cavity Ring-Down Spectroscopy†

2004 ◽  
Vol 108 (39) ◽  
pp. 7785-7789 ◽  
Author(s):  
Shinichi Enami ◽  
Yukio Nakano ◽  
Satoshi Hashimoto ◽  
Masahiro Kawasaki ◽  
Simone Aloisio ◽  
...  
Keyword(s):  
Experimental Study ◽  
Theoretical Calculation ◽  
Dimethyl Sulfide ◽  
Cavity Ring Down Spectroscopy ◽  
Cl Atoms ◽  
Cavity Ring Down

Taking the halogen bonding–hydrogen bonding competition one step further: complexes of difluoroiodomethane with trimethylphosphine, dimethyl sulfide and chloromethane

2017 ◽  
Vol 73 (2) ◽  
pp. 168-178 ◽  
Author(s):  
Yannick Geboes ◽  
Frank De Proft ◽  
Wouter A. Herrebout
Keyword(s):  
Hydrogen Bonding ◽  
Dimethyl Sulfide ◽  
Halogen Bonding ◽  
Hydrogen Bond Donor ◽  
Lewis Bases ◽  
One Step ◽  
Fourier Transform Ir ◽  
Binary Associations ◽  
Bonded Complexes ◽  
Hydrogen Bonded

To rationalize the driving factors in the competition of halogen bonding and hydrogen bonding, the complexes of the combined halogen-/hydrogen-bond donor difluoroiodomethane with the Lewis bases trimethylphosphine, dimethyl sulfide and chloromethane are studied. For all Lewis bases,ab initiocalculations lead to halogen- and hydrogen-bonded complexes. Fourier transform–IR experiments involving solutions of mixtures of difluoroiodomethane with trimethylphosphine(-d9) or dimethyl sulfide(-d6) in liquid krypton confirm the coexistence of a halogen-bonded and hydrogen-bonded complex. Also for solutions containing chloromethane, evidence of the formation of binary associations is found, but no definitive assignment of the multiple complex bands could be made. Using van't Hoff plots, the experimental complexation enthalpies for the halogen- and hydrogen-bonded complex of difluoroiodomethane with trimethylphosphine are determined to be −15.4 (4) and −10.5 (3) kJ mol−1, respectively, while for the halogen- and hydrogen-bonded complexes with dimethyl sulfide, the values are −11.3 (5) and −7.7 (6) kJ mol−1, respectively. The experimental observation that for both trimethylphospine and dimethyl sulfide the halogen-bonded complex is more stable than the hydrogen-bonded complex supports the finding that softer Lewis bases tend to favor iodine halogen bonding over hydrogen bonding.

On the photoelectron and ultraviolet spectra of molecules containing a divalent sulfur atom and a carbonyl group separated by a methylene group

1976 ◽  
Vol 54 (19) ◽  
pp. 3026-3030 ◽  
Author(s):  
P. R. Olivato ◽  
H. Viertler ◽  
B. Wladislaw ◽  
K. C. Cole ◽  
C. Sandorfy
Keyword(s):  
Carbonyl Group ◽  
Absorption Spectra ◽  
Sulfur Atom ◽  
Lone Pair ◽  
Ultraviolet Absorption ◽  
Photoelectron Spectra ◽  
Ultraviolet Spectra ◽  
Methylene Group ◽  
Divalent Sulfur

Photoelectron spectra show that in CH3SCH2COCH3 the sulfur and carbonyl lone pair orbitals [Formula: see text] are both stabilized with respect to the compounds containing S or CO only. This is in keeping with the observed values of the basicity constants. The ultraviolet absorption spectra contain the expected [Formula: see text] and [Formula: see text] bands and give evidence for a significant amount of mixing between the excited orbitals.

Experimental study on the restoration from a tilt-azimuth series for improvement in resolution

1995 ◽  
Vol 53 ◽  
pp. 636-637
Author(s):  
Norio Baba ◽  
Norihiko Ichise ◽  
Syunya Watanabe
Keyword(s):  
Experimental Study ◽  
Spherical Aberration ◽  
Incident Beam ◽  
Optical Parameters ◽  
Beam Tilting ◽  
Illumination Method ◽  
Restoration Method ◽  
Illumination Mode

The tilted beam illumination method is used to improve the resolution comparing with the axial illumination mode. Using this advantage, a restoration method of several tilted beam images covering the full azimuthal range was proposed by Saxton, and experimentally examined. To make this technique more reliable it seems that some practical problems still remain. In this report the restoration was attempted and the problems were considered. In our study, four problems were pointed out for the experiment of the restoration. (1) Accurate beam tilt adjustment to fit the incident beam to the coma-free axis for the symmetrical beam tilting over the full azimuthal range. (2) Accurate measurements of the optical parameters which are necessary to design the restoration filter. Even if the spherical aberration coefficient Cs is known with accuracy and the axial astigmatism is sufficiently compensated, at least the defocus value must be measured. (3) Accurate alignment of the tilt-azimuth series images.

An Experimental Study of Some Properties of Stuttered Words

1962 ◽  
Vol 5 (4) ◽  
pp. 387-394 ◽  
Author(s):  
Bruce Quarrington ◽  
Jerome Conway ◽  
Nathan Siegel
Keyword(s):  
Experimental Study
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