Measure of nonplanarity in conjugated organic molecules: which structurally characterized molecule displays the highest degree of pyramidalization?

摘要: A set of vectors reciprocal to those pointing along the internuclear axes from a conjugated carbon atom are introduced. The resultant is shown define π-orbital axis vector at nonplanar atom. quantities introduced in transformation sufficient all popular measures pyramidalization organic molecules and allow comparisons between different schemes. nonplanarity divided according isotropy, it that there high degree correlation scales pyramidalization, particularly case isotropic analyses