Abstract
Across the bay: J((125)Te, (125)Te) spin-spin coupling is a highly sensitive probe into the electronic and geometric structure of 1,8-peri-substituted naphthalene tellurium derivatives. The coupling is related to the onset of multicenter bonding in these systems.
Highlights
Most of the tools for quantifying the extent of chemical bonding between two atoms are quantum-chemical in nature
Studies of naphthalene (N) and acenaphthene (A) derivatives with pnictogen and chalcogen atoms in the peri positions, it became apparent that for the heavier congeners, steric repulsion is partly counterbalanced by attractive interactions
In particular with Te substituents, formally nonbonded, “across-the-bay” distances are significantly shorter than the sum of the van-der-Waals radii, which has been traced back to weak donor–acceptor interactions and the onset of 3-center-4electron (3c4e) bonding.[8]
Summary
Most of the tools for quantifying the extent of chemical bonding between two atoms are quantum-chemical in nature. 3.4 ).[10] These unsymmetrical systems show remarkably large J(125Te,125Te) SSCCs, formally 4J values, of 1093.0 Hz and 945.8 Hz in N2 and A2, respectively.[10] We report even larger couplings in N1 and A1, along with computational conformational analysis underlining the potential of this property as a structural and interpretative method.
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
