Crystal structure analysis revealed the bent molecular geometry of the compounds with bent angle 151° along with fundamental intermolecular interactions such as antiparallel arrangement of the polar molecules, intermolecular hydrogen bonding, different types of π–π interactions and entangled/helical ...
The helical twist between the two T.m6A base pairs is found to be 45 degrees, as for D-DNA, and is accompanied by a high negative value of the wedge roll angle between these base pairs. The overall nonzero wedge roll observed shows that the helix is bent. These constraints appear to ...
For our model, we assumed a simple smectic-C geometry with constant molecular tilt and cone angle defined by the director with respect to the layer normal, but allowed a constant variation of the polar direction about the director. Applying this simplified model to a free energy which accounts...
Geometry optimisation Geometry optimisations were performed for all the structures GNs(shown in Fig. 1), VGNs and Xy/VGNs. The observed average C-C bond length and bond angle (C-C-C) for GNs is 1.42 Å and 120º, which is in good agreement with the theoretical and experimental fi...
Ferrocene and uranocene are examples of linear sandwich complexes, that is, those in which the (ring centroid)-M-(ring centroid) angle (denoted θ) is 180 degree. In the case of (η-CH)M chemistry, a number of bent (θ < 180degree) complexes are known when M is a main-group or ...
The bent bond theory can also explain other phenomena in organic molecules. Influoromethane(CH3F) for instance the experimental F-C-H bond angle is 109° but should be less. This is due to the fact that according toBent‘s rule,the C-F bond gains p-orbital character leading to high s...
Crystal structure analysis revealed the bent molecular geometry of the compounds with bent angle 151 degrees along with fundamental intermolecular interactions such as antiparallel arrangement of the polar molecules, intermolecular hydrogen bonding, different types of pi-pi interactions and entangled/helical ...
Q?W Fig. 1 Benzene ring compressed by a saturated environment and the second on the valence angle bending forces, which are stronger. Although the planar mode has a low frequency this is due partly to its higher effective mass.As the final column shows, its force constant is considerably ...
optimal anglemolecular structurecomputer simulationssimple lattice modelRecent claims that bent core molecules can exhibit the elusive biaxial nematic phase reveal a molecular structure that differs significantly from the geometry predicted by theory. One proposed reason for this is the large transverse ...
The methoxo ligand is significantly deviated from the usual bent geometry. The three atoms Ti, O, and C are nearly collinear (Ti O C angle; 171(1)°), and the Ti O bond distance is very short (1.77(1) Å). The slightly bent configuration of the axial bonding system is accounted ...