How do the bond angles in the six atom ring (created when ASA binds to Fe3+) differ from
the bond angles of the six atom benzene ring?
are there even any tetrahedral angles in here because the angles i found are 123.66,124.12,119.15,114.71,89.86. Some are too big for 109 degrees
The bond angles in a six atom ring created when ASA (acetyl salicylic acid) binds to Fe3+ differ from the bond angles in a six atom benzene ring. In the case of ASA binding to Fe3+, the bonding involves coordination complexes, and the geometry around Fe3+ is typically octahedral.
In a benzene ring, all the carbon atoms are sp2 hybridized and are in a planar arrangement. The bond angles in a benzene ring are approximately 120 degrees.
On the other hand, in an octahedral arrangement, the bond angles between the ligands (including the ASA molecule) and the central iron (Fe3+) atom are generally closer to 90 degrees, as you have observed. The angles you found, such as 123.66, 124.12, 119.15, 114.71, and 89.86 degrees, are consistent with the expected deviations in an octahedral coordination complex.
In summary, while a benzene ring has bond angles of approximately 120 degrees, the bond angles in a six atom ring formed when ASA binds to Fe3+ are closer to 90 degrees due to the octahedral geometry of the coordination complex.
To compare the bond angles in a six-atom ring formed by ASA (acetilsalicylic acid) binding to Fe3+ with the bond angles of a six-atom benzene ring, we need to consider the molecular geometries and electronic effects.
First, let's address the discrepancy you mentioned regarding tetrahedral angles. The bond angles in a tetrahedral arrangement are ideally 109.5 degrees. However, in complex molecules and coordination compounds, the bond angles can deviate from this ideal value due to various factors, such as steric hindrance and electronic effects.
In the case of ASA binding to Fe3+, the geometry around the iron atom is likely to be distorted from a perfect tetrahedron. This distortion can be due to the ASA ligand's size, shape, and electronic interactions with the iron atom. As a result, the bond angles within the six-atom ring can deviate significantly from 109.5 degrees.
To determine the bond angles, you can use a molecular modeling software or program that can calculate the geometry and bond angles of complex molecules. These programs employ computational methods to optimize molecular structures and calculate bond angles based on the electronic properties of the atoms involved.
If you have access to such a program, you can input the chemical structure of the molecule containing ASA and Fe3+ and let the program calculate the bond angles for you. Alternatively, you can consult research articles or textbooks that discuss the specific complex you are interested in, as they may provide experimental or theoretical data on the bond angles.
Remember that bond angles can vary depending on the specific molecular context, so it's important to consider the specific compound and coordination environment you are investigating when comparing bond angles between different molecules or complex structures.