Bend angle

Figure A3.7.7. Two-dimensional contour plot of the Stark-Wemer potential energy surface for the F + H2 reaction near the transition state. 0 is the F-H-H bend angle.

Alkanethiolates have two binding modes at the Au(lll) hoUow site, one with a bend angle around the sulfur of 180° (sp) and the other of 104° (sp ). The latter is being more stable by 1.7 kJ/mol (0.41 kcal/mol) (211). Thus, packing requirements may dictate the final surface—S—C angle. Many studies have... 

Fig. 8. Planar representation of the (9M,0)-(5n,5n) knees, having a 36° bend angle produced by a heptagon-pentagon pair on the equatorial plane. The arrows show the dotted line of bonds where the knee N or N is connected to the corresponding straight tubules (a) knee N for n= 1 (b) stretched knee N , . for h = 1 and c=38 (c) general knees N and jV f.

Table 1 Optimized energy values for the and B states of the methylene as function of the HCH bending angle.

ANGLE BEND / ANGLE BEND (C0M"O ( CENTRAL ATOM) -6,03993492 0,00015523... 

Table 1. R-level calculated bond lengths (r/A), bond order (BO), and H-bending angle (ZH-Et/°) ...

We note that y and zi are functions of the skew angle 0 and of the bend angle /i (see Scheme 4) ... 

The X—N bond distances (Tables 4-8) in XH3NNN and XH3NCZ show the azide being consistently the larger. This is probably because of the smaller XNN bend angle which can introduce steric repulsion effects, and shows that structures with X=N double... 

Fig. 3.9 Top Tilt (S) and bend angles (0) used to define the structure of the Fe-CO unit in FeP(lm)(CO). Bottom Configurational space sampled by the projection of the...

Here, r(° is an equilibrium bond length and 0 is an equilibrium valence bend angle, whereas kd°nd, kd d, and are the bond, bend, torsion, and... 

FIGURE 3.21. Gas-phase potential energy surfaces for the 4-cyanochlorobenzene anion radical as a function of the C-Cl bond length (r) and the bending angle (0). R, reactant system TS, transition state. Adapted from Figure 4 of reference 32, with permission from the American Chemical Society. 

---