Indirect Nonbonded Nuclear Spin–Spin Coupling: A Guide for the Recognition and Understanding of “Through-Space” NMR J Constants in Small Organic, Organometallic, and Coordination Compounds

Peri-Substituted Phosphorus–Tellurium Systems–An Experimental and Theoretical Investigation of the P···Te through-Space Interaction

“…This phenomenon was first described by Mallory 31 in perisubstituted fluorine systems and recently reviewed by Hierso. 32 The so-called through-space spin-spin coupling is explained by an overlap of lone pair orbitals, which facilitate the transfer of spin information between two atoms. 32 Our recent studies on ditellurides support the conclusion that the major pathway for this transfer is indeed an overlap of lone pair orbitals and not mainly due to a lp(X)→*(Y-Z)…”

“…This was also observed in the peri-substituted phosphorus-selenium systems Ph 2 (E)P-Nap-SePh (E = O, S, Se)). 15,32 21…”

Through‐space 19F–19F spin–spin coupling in ortho‐fluoro Z‐azobenzene

“…In solutionstate studies of non-bonded interactions like TS coupling, DFT data are preferred because X-ray interatomic distances can be distorted by crystal packing forces. [6,33] Our X-ray data are limited to three Z structures (Z7-9) because Z isomers typically form oils and suitable X-ray crystals were difficult to obtain. Figure 3 depicts the crystal structures of Z7 and Z8.…”

“…We have observed that through-space (TS) 19 F- 19 F coupling in ortho-fluoro Z-ABs, which we argue, provides an additional probe of conformation of Z-AB in hybrid systems through the use of 19 F NMR. [6] Results and discussion…”

Synthesis and Platinum Complexes of an Alane‐Appended 1,1′‐Bis(phosphino)ferrocene Ligand

“…In the solid state, P(1) is engaged in adduct formation with the alane (Figure 2; P(1)-Al = 2.554(2) ), whereas recently reported FcPPB features a P(2)-B interaction; [18] presumably a P(1)-B interaction is disfavored by the B-phenyl substituents in FcPPB. In the 31 P NMR spectrum of FcPPAl, a 31 P-31 P coupling of 31 Hz ( Figure 2) is indicative of through-space coupling arising from a nonbonding interaction between the lone pair on P(2) and the bonding pair between P(1) and Al; [20] the P(1)-P(2) distance in FcPPAl is 3.601(2) .…”