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. 2020 Feb 13;124(10):2046–2056. doi: 10.1021/acs.jpca.0c00257

Table 6. Structural Parameters (Å and Degrees) in (H3N)3···ZF3 at the MP2/aug-cc-pVDZ Level of Theory.

  r(N···Z) R(Z–F) Φ(N···Z–F) Σ(F–Z–F) ΔΣ(F–Z–F)
(NH3)3···PF3 2.959 1.657 163.5 282.0 –9.2
  2.954 1.656 163.4    
  2.949 1.656 163.2    
(NH3)3···AsF3 2.822 1.786 159.6 275.1 –13.1
  2.820 1.786 159.6    
  2.820 1.785 159.5    
(NH3)3···SbF3 2.789 1.970 150.8 266.5 –18.0
  2.789 1.970 150.7    
  2.788 1.970 150.7    
(NH3)3···BiF3 2.769 2.081 150.9 268.3 –18.3
  2.769 2.081 150.9    
  2.769 2.081 150.9