Distortion angle

In reality, several factors were mentioned as being responsible for this behavior, such as variations in bond angle distortion, in the internal stress or in the hydrogen content [40, 76], but all of them are also strongly correlated with the variation of optical gap width in amorphous carbon films. Theoretical work on Raman spectroscopy on DLC materials gave additional support for Dillon s interpretation [77]. 

Fig. 2.6 Comparison of the calculated structures for glycine in the gas-phase and in water (COSMO solvation model). Note that the central bond angle in the zwitterionic form 1 is distorted by the hydrogen bond length of 1.96A computed for this structure in the gas phase. When solvation effects are included in the calculation using COSMO, the electrostatic interaction is reduced in magnitude due to charge screening by water, and the bond angle distortion is no longer present.

The strain estimates in these systems have been made on the basis of bond-length and bond-angle distortions (89), and it would be interest-... 

Steric strain270 exists in a molecule when bonds are forced to make abnormal angles. This results in a higher energy than would be the case in the absence of angle distortions. There... 

Theoretical calculations on 3,4-benzophenanthrene (3) and tetrabenzo-naphthalene (4) indicate that the potential energy of deformation arising from out-of-plane bending and ring-angle distortion is of the same order, but that the combined effect of both is much smaller than either separately. 

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