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Bond angles temperatures

Amino acid Atom Hydrogen bonding Angle (°) Temperature factor B... [Pg.390]

Taking the length per repeat unit (i.e., bond angles already considered) as 0.78 nm in each instance, evaluate the factors (1 + cos 0)/(l - cos (p) and cos (p for each polymer. Ignoring the difference between 130 and 140°C, do you find the difference in steric hindrance between the tributyrate and tri-caprylate to be what you expected Is the effect of temperature on the 1q value of cellulose tributyrate what you expected Briefly explain each answer. For each polymer, calculate r if n = 10 also do this for the hypothetical chain with no restrictions to rotation and having the same repeat length. [Pg.70]

In Figure 2 the bond lengths and internal bond angles are given for some of the simple azines. Gas-phase electron diffraction, microwave spectroscopy, or the two techniques in combination, provided the results on compounds which were sufficiently volatile but with insufficient tendency to crystallize at accessible temperatures X-ray diffraction provided the remainder. [Pg.7]

B2) With their frequencies beyond 1000 cm , the bond length and bond angle oscillations occupy the ground state at room temperature. The classical harmonic treatment makes them too flexible. ... [Pg.118]

Figure 4 Time step dependence of the average total energy for two models of a partially hydrated dodecamer DNA duplex. Thinner traces show results for virtually harmonic conditions when temperature was lowered to 1 K. The DNA molecule has fixed bond lengths, rigid bases, and fixed valence angles except for the mtra- and extracyclic bond angles m sugars, (a) No modifications of inertia (b) inertia modified as explained m the text. (From Ref. 54.)... Figure 4 Time step dependence of the average total energy for two models of a partially hydrated dodecamer DNA duplex. Thinner traces show results for virtually harmonic conditions when temperature was lowered to 1 K. The DNA molecule has fixed bond lengths, rigid bases, and fixed valence angles except for the mtra- and extracyclic bond angles m sugars, (a) No modifications of inertia (b) inertia modified as explained m the text. (From Ref. 54.)...
Whereas the barrier for pyramidal inversion is low for second-row elements, the heavier elements have much higher barriers to inversion. The preferred bonding angle at trivalent phosphorus and sulfur is about 100°, and thus a greater distortion is required to reach a planar transition state. Typical barriers for trisubstituted phosphines are BOSS kcal/mol, whereas for sulfoxides the barriers are about 35-45 kcal/mol. Many phosphines and sulfoxides have been isolated in enantiomerically enriched form, and they undergo racemization by pyramidal inversion only at high temperature. ... [Pg.103]

Linear molecule A triatomic molecule in which the bond angle is 180° examples include BeF2 and C02,176 Linear polyethylene, 612 Liquid scintillation counter, 518 Liquid-vapor equilibrium, 253-254q boiling point, 230-231 critical pressure, 231-232 critical temperature, 231-232 symbol, 227... [Pg.691]

Crystallographic refinement is a procedure which iteratively improves the agreement between structure factors derived from X-ray intensities and those derived from a model structure. For macro molecular refinement, the limited diffraction data have to be complemented by additional information in order to improve the parameter-to-observation ratio. This additional information consists of restraints on bond lengths, bond angles, aromatic planes, chiralities, and temperature factors. [Pg.87]

The four values correspond to the difference in temperature factors for atoms connected by a bond length, for atoms connected by a bond angle, for P-0 bond lengths, and for phosphate atoms connected by a bond angle or for atoms involved in hydrogen bonding. [Pg.90]

The CpCo-stabilized ethynylated cyclobutadienes are considerably more robust, and the parent 76 can be isolated as a yellow crystalline material, stable at ambient temperature for several hours. At 0°C 76 decomposes in the course of several days, which is indicated by darkening of the formerly brillant-yellow needles. The stability of 76 made in X-ray analysis feasible and the bond angles/distances obtained are in good agreement with reported values for ethynylated cyclobutadiene complexes already described [35,36]. [Pg.152]

The examination of the vco bands in the 2200-2179 cm region at room temperature reveals that Cr(II) sites are distributed in two basic structural configurations, namely CrA and Cre. These results confirm fhe view illus-frafed before concerning the structural complexity of the Cr(ll) system. CrA sites seem to correspond to the first family of chromates represented in Scheme 4, while Cre sites correspond to a family characterized by a larger aocro bond angle. It is important to underline here that, when we speak about CrA and Cre sites, we are referring to two families of structures instead of simply to two different well-defined sites. [Pg.17]


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