Electronic and Vibrational Contributions to Hyperpolarizabilities of Medium-Size Organic Molecules

10.1063/1.3225420 ◽

2009 ◽

Author(s):

R. Zaleśny ◽

P. Krawczyk ◽

W. Bartkowiak ◽

M. G. Papadopoulos ◽

George Maroulis ◽

...

Keyword(s):

Organic Molecules ◽

Medium Size

Download Full-text

ChemInform Abstract: High-Resolution Spectroscopic Studies of Complexes Formed by Medium-Size Organic Molecules

ChemInform ◽

10.1002/chin.201628255 ◽

2016 ◽

Vol 47 (28) ◽

Author(s):

Maurizio Becucci ◽

Sonia Melandri

Keyword(s):

High Resolution ◽

Organic Molecules ◽

Spectroscopic Studies ◽

Medium Size

Download Full-text

High-Resolution Spectroscopic Studies of Complexes Formed by Medium-Size Organic Molecules

Chemical Reviews ◽

10.1021/acs.chemrev.5b00512 ◽

2016 ◽

Vol 116 (9) ◽

pp. 5014-5037 ◽

Cited By ~ 51

Author(s):

Maurizio Becucci ◽

Sonia Melandri

Keyword(s):

High Resolution ◽

Organic Molecules ◽

Spectroscopic Studies ◽

Medium Size

Download Full-text

High Resolution Replication of Organoclay Surfaces

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100055126 ◽

1982 ◽

Vol 40 ◽

pp. 576-577

Author(s):

W. W. Barker ◽

W. E. Rigsby ◽

V. J. Hurst ◽

W. J. Humphreys

Keyword(s):

Clay Mineral ◽

Organic Molecule ◽

Organic Molecules ◽

X Ray Diffraction ◽

Xrd Pattern ◽

X Ray ◽

Naturally Occurring ◽

Silicate Layers ◽

Mineral Identification

Experimental clay mineral-organic molecule complexes long have been known and some of them have been extensively studied by X-ray diffraction methods. The organic molecules are adsorbed onto the surfaces of the clay minerals, or intercalated between the silicate layers. Natural organo-clays also are widely recognized but generally have not been well characterized. Widely used techniques for clay mineral identification involve treatment of the sample with H2 O2 or other oxidant to destroy any associated organics. This generally simplifies and intensifies the XRD pattern of the clay residue, but helps little with the characterization of the original organoclay. Adequate techniques for the direct observation of synthetic and naturally occurring organoclays are yet to be developed.

Download Full-text

Direct phase determination in electron crystallography: small organic molecules

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100130468 ◽

1992 ◽

Vol 50 (2) ◽

pp. 1166-1167

Author(s):

Douglas L. Dorset

Keyword(s):

Organic Molecules ◽

Data Sets ◽

Temperature Structure ◽

3D Analysis ◽

Intensity Data ◽

Electron Crystallography ◽

Phase Determination ◽

Measured Intensity ◽

3D Data

The quantitative use of electron diffraction intensity data for the determination of crystal structures represents the pioneering achievement in the electron crystallography of organic molecules, an effort largely begun by B. K. Vainshtein and his co-workers. However, despite numerous representative structure analyses yielding results consistent with X-ray determination, this entire effort was viewed with considerable mistrust by many crystallographers. This was no doubt due to the rather high crystallographic R-factors reported for some structures and, more importantly, the failure to convince many skeptics that the measured intensity data were adequate for ab initio structure determinations.We have recently demonstrated the utility of these data sets for structure analyses by direct phase determination based on the probabilistic estimate of three- and four-phase structure invariant sums. Examples include the structure of diketopiperazine using Vainshtein's 3D data, a similar 3D analysis of the room temperature structure of thiourea, and a zonal determination of the urea structure, the latter also based on data collected by the Moscow group.

Download Full-text