Exorga, Inc. - Consultants in Chemistry, Molecular Modeling, and the Environment


StruMM3D (Version 8.0.0.X, 2016) © V. G. S. Box, Ph.D.

MOLECULAR MODELING and MOLECULAR GRAPHICS in the MicroSoft's WINDOWS ®. Environment


The molecules (molecular models) shown below were reconstructed from their respective X-Ray crystallographic coordinate data. The images of the molecular models were automatically trimmed and placed into the ClipBoard by STRUMM3D, then they were "pasted" into a graphics program. They could also have been pasted into MS PAINT, MS Word, MS Write, MS WORDPAD, or any other Windows program that can handle graphics, or simultaneously handle text and graphics. These images could easily have been parts of your reports, papers, publications, or whatever you wish.


This helicene shows quite clearly the extreme distortion that steric effects can cause in molecules. These distortions can cause quite dramatic changes in chemical reactivity, and is some physical properties, especially the spectroscopic properties, of the molecule. Two molecules in this unit cell are shown.


The cyclodextrins are quite spectacular as "hosts" Molecules. Just look at that hole!  These "hosts" can "encapsulate" small "guest" molecules. Usually the "guest" will dynamically enter and leave the cavity when the complex is in solution.


Another helicene, but now with a dibenzocyclobutane ring in the structure.


The Bucky ball earned some scientists the Nobel Prize a few years ago. A new allotrope of carbon, its symmetry made its x-ray crystallography difficult. Now, their derivatives can be characterized by x-ray crystallography. This molecule is a complex with bis(triphenylphosphine)rhodium, but the metal atom is not shown. Notice the benzenes "of crystallization" in the unit cell. Unfortunately, derivatization destroys some of the pi-bonds in the original structure and the symmetry is lost. Are the buckys really "aromatic"?


Let us know which molecule(s) you would like to see displayed and we'll try to provide you with some authentic, and nice, images.