Drawings computer-generated

Orbital Surfaces. Molecular orbitals provide important clues about chemical reactivity, but before we can use this information we first need to understand what molecular orbitals look like. The following figure shows two representations, a drawing and a computer-generated picture, of a relatively high-energy, unoccupied molecular orbital of hydrogen molecule, H2. 

The three dimensional structure was obtained by means of single crystal X-ray diffraction. CuKa radiation, a graphite monochromator, and a photomultiplier tube were used to collect 1825 total reflections on an automated diffractometer. Of these, 1162 were used for the analysis. Figure 2 shows a computer generated drawing of halcinonide. The position of the chlorine atom was not clear from the Patterson map, but the direct method program "MULTAN" gave its position. 

Fig. 4. Computer-generated drawing of the dimer LiC6H3-2,6-(C6H3-2,6-/-Pr2)2 2-34...

Fig. 7. Computer-generated drawing of the isocarbonyl species 2,6-Mes2H3C6(THF)2Be-(CO)3Mo(7,5-C5H5).36...

Fig. 8. Computer-generated drawing of the monomer 2,6-Mes2H3C6BeN(SiMe3)2.38...

Fig. 9. Computer-generated drawing of the structure of Mg(Br)(C6H3-2,6-Trip2)(THF)2.42...

Fig. 11. Computer-generated drawing of TriphCu(/r-Triph)Cu(SMe2)2-57...

Fig. 15. Computer-generated drawing of Ga(Cl)C6H3-2,6-Mes2)2, which has an extremely wide C-Ga-C angle of 153.3(5)°.75...

Fig. 17. Computer-generated drawing of Na2(GaC6H3-2,6-Triph2)2,62 which was reported to have a Ga-Ga triple bond.

Fig. 18. Computer-generated drawing of InC6H3-2,6-Trip2 featuring a one-coordinate indium.64...

Fig. 23. Computer-generated drawing of the solvent separated salt [K(THF)6][2,6-Trip2H3C6SnSnC6H3-2,6-Trip2].103...

Fig. 31. Computer-generated drawing of l-dichloroiodo-2,6-bis(3,5-dichloro-2,4,6-tri-methylphenyl)benzene.168...

Full-color, high-quality computer-generated graphics (drawings and illustrations) are widely used in proposals to illustrate scientific concepts. 

Figure 2. Computer-generated perspective drawing of divinorin A (1) with crystallographic numbering scheme.

Fig. 5 Computer-generated drawing of compound 93a (d-gluco type)...

Figure 1. Computer-generated perspective drawings of the x-ray model of the hydrobromide salt of the R isomer of SK F 82526.

Absolute stereochemistry of the enantiomers of I was established by single-crystal x-ray diffractometric analysis of (R)-I HC1 (37), as well as by similar analysis of (R)-Va CH3l which was subsequently converted to (R )-I via a stereospecific synthetic sequence (35). Computer generated perspective drawings (38) of two rotamers of the Isomer [[a] + 15.3° (c 1, CH3OH)] observed in the x-ray analysis are shown in Figure 1. 

Figure 1. Computer-generated perspective drawing oj two rotamers (A,B). (See text for discussion) (37, 38J. Key O, carbon , nitrogen , oxygen and ,...

Fig. 3. Perspective drawing of the main-chain conformation of domestic hen egg-white lysozyme. The view is an elevation from the active-site side of the molecule (Imoto et al., 1972). Only the positions of the a-carbon atoms are shown. An instructive colored painting by I. Geis of the original three-dimensional model of lysozyme is reproduced in the early review by Phillips (1966). Of historic interest is the drawing of the model by the late Sir Lawrence Bragg (reproduced by Blake et al., 1965, and Phillips et al., 1987). It is to be noted that Bragg s diagram is a free-hand drawing and not an accurate computer-generated representation of the molecule. (Reproduced with permission from Imoto et al., 1972.)...

Fig. 6. Computer-generated thermal ellipsoidal drawing of (Me3Si>3SiLi 3THF (22). Reprinted with permission from J. Organomet. Chem. 1993,462, I. Copyright (1993) Elsevier Science S. A.

FIGURE 15.22. Assembly of subunits in proteins. Shown are two subunits of the enzyme D-xylose isomerase, forming a dimer by a one-armed embrace. (a) Line drawing connecting Co, carbon atoms, and (b) computer-generated view of the molecule with atoms with van der Waals radii on each Co, carbon atom. No side chains are shown in either diagram. In (a) one monomer is illustrated with black spheres, and the other with white spheres, in order to differentiate between them. (Courtesy H. L. Carrell)... 

Fig. 6. A computer generated drawing of Fe(saloph)catH. Hydrogens are omitted for clarity...

Stereochemistry deals with the three-dimensional arrangement of a molecule s atoms, and we have attempted to show stereochemistry with wedge-and-dash drawings and computer-generated models. It is possible, however, to convey stereochemical information in an abbreviated form using a method devised by the German chemist Emil Fischer. 

Computer-generated illustrations are acceptable if they meet the criteria for line weight type size, font, and density and overall size. Drawings produced on older dot matrix printers are usually unacceptable by these standards. 

FIQURE 9.9—COnt d (b) Top views. Both parts include computer-generated spacefilling models (bottom). The top half of each part shows corresponding ball-and-stick drawings. 

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