Stick diagrams

EXAMPLE 7.1. Draw a ball-and-stick diagram depicting the reaction represented by the following equation ... 

Figure 2. Views of some carcinogenic molecules showing K- and bay- regions. Views are given of BP (I), DMBA (II), 3-methyl-cholanthrene (III), ll-methyl-15,16-dihydrocyclopenta[a]phen-anthracene (VII) and 5-methylchrysene (VIII). These and all subsequent ball-and-stick diagrams were drawn using the computer program VIEW (141).

Figure 2. A ribbon diagram of rhizopus pepsin (PDB code 5APR). The catalytically important Asp dyad (Asp218 and Asp35) side-chains are shown in stick diagrams. The P-hair pin flap that covers the active site cleft is located in the bottom of the diagram.

Figures 4.2 L5 show accurate perspective ball-and-stick diagrams of the idealized structures in (4.45)-(4.49), in order to aid visualization of the rather unfamiliar shapes associated with equivalent sdM hybrids. Note that a surprising proportion of these hypothetical sdM geometries corresponds to placing all ligands on one side of a plane through the metal nucleus (see, e.g., Figs. 4.3(b) and (c) and 4.4(b) and (d)), and will thus be disfavored on steric or electrostatic grounds. Hence, the most reasonable structures are those shown in Figs. 4.3(a), 4.4(a) and (b), and 4.5(a) and (c), which have fewer cramped aacute angles and fill space more equitably.

In Fig. 4, we show simulations of the vibrational absorption bands V2V 0 (u2 < 4) for The simulated spectra are drawn as stick diagrams... 

Fig. 15. Ribbon and ball-and-stick diagrams of the NPl-CN structure. The view in (b) is rotated approximately 90° about the vertical axis from the view (a) on the left. The mobile loops are above and next to the heme in this view. Reproduced with permission from Ref. (.31).

Figure 2. Stick diagram representing the C-13 spectra (18) of methyl R-cello-bioside, as a model for cellulose (upper), and a partially substituted O-methyl-cellulose (2- and 6-0-methyl) (lower). The light lines emphasize the changes in chemical shift associated with the introduction of ether substituents.

Figure 4. Stick diagrams representing C-13 spectra at 22.63 MHz (22) of chon-droitins A, B, and C (4a, 4b and 4c, respectively). The vertical, light lines relate resonances for analogous C-13 nuclei in the three different polymers. Not included are sigrwls caused by the acetamido CH, and C==0 carbons, and the carboxyl carbons (U-6). Minor signals that demonstrate the presence of chon-droitin A in C, and of C in A, are found in Figure 1 of Ref. 22. A = acetamide-oxyhexose, U = uronic acid.

The REVIEW command draws the chemical structure on one part of the screen, and then writes the associated information on the remainder. To obtain a full screen view of a chemical structure, the DRAW command is used. Options with the DRAW command include atom numbered structures, space-filled diagrams with or without imbedded stick diagrams, stero pairs, and a special box view where the top, side, and front view of the structure are shown at the same time (see Figure 1). The draw routine can use either... 

It has recently been pointed out that the usual stick diagrams of a first-order pattern explain the pattern after the fact, but students are not taught to analyze the pattern. A brief addendum addresses this topic. 

Standard addition, 154, 355 Standard deviation, 387 Stationary phase, 66, 88 Stick diagram, 290 Student s test, 391 Supercritical phase, 96 Support electrolyte, 348... 

Relative abundances 35C12 35C137C1 37C12 = 1 0.639 2 0.102 2 Figure 22-7 shows the stick diagram. 

Fig. 30. ESR spectrum of tetramethyleneethane radical cation in a CF3CC13 matrix at 140 K with H ENDOR signals observed above the free proton frequency as an inset a stick diagram of the ESR spectrum is shown on the bottom (Reprinted by permission)...

A complex, first-order multiplet differs from a simple, first-order multiplet in that several different coupling constants are involved in the complex multiplet. The requirement that A vIJ be greater than about 8 still holds, but Pascal s triangle does not hold for the complex multiplet. An example is presented later in Figure 3.37 where it can be seen in the expanded splitting pattern that the multiplet consists of a quartet of doublets the stick pattern is shown in the text and consists of a sequence of two simple multiplets. Some dexterity with stick diagrams will be required throughout. Section 3.5.5 provides a more sophisticated treatment. 

The usual stick diagram conveniently explains the pattern after the fact. However, a first-order pattern resulting, for example, from coupling of a single... 

Sketch the following spin systems (stick diagrams are sufficient) AX, A2X, A3X, A2X2, A3X2. 

For the three simulated spin systems (pages 185-187), draw a stick diagram for each first order multiplet in each spin system. After determining one multiplet in each spin system, the other two multiplets will be useful checks. 

Figure 9.14. Upper Zeeman behaviour of the yl-doublet and proton hyperfme levels of OH in the J = 3/2 F (2113/2) rotational level, and the electric dipole transitions. Lower stick diagram of the magnetic resonance spectrum obtained by Radford at a frequency of 9263 MHz [7],...

FIGURE 7-41 Schematic ball and stick diagram depicting triad sequences. 

Figure 4. Ball-and-stick diagrams of the antibonding (left) and bond-centered (right) models for hydrogen donors in ZnO.

Figure 1.5 Simulated hyperfine patterns and illustrated stick diagrams for the radical fragments CHCH2 (Och > >ch2) and CH-CHj (OcH2>flCH)...

Figure 1.15 Stick diagram of the hyperfine components in the powder EPR spectrum of the randomly oriented NO2 molecule. The orientation of the molecule is shown in the scheme.

Fig. 10-11. CIDEP spectrum observed at a delay time of 0.25 ps after laser excitation of a 2-propanol solution of PhsP at room temperature. Stick diagrams a and b indicate the signal positions due to the 2-hydroxy-2-propyl and diphenylphosphinyl radicals, respectively. (Reproduced from Ref. [7] by permission from Elsevier Science B. V.)...

Fig. 14-4. A calculated ESR spectmm for the 1 1 mixture of the semiquinone and SDS radicals. Stick diagrams under the simulated spectrum indicate the signal positions of the semiquinone and SDS radicals. (Reproduced from Ref. [15] by permission from Nature)...

Fig. 3 Computer-generated stick diagrams of the absorption spectrum of the V2 fundamental band of Hj at four different temperatures. Note the large number of lines at ca. 2500 cm and Q branch transitions with the band origin at 2521.3 cm . ...

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