where h is the reduced Plank's constant, [[omega].sub.H] is the proton magnetogyric ratio and Larmor frequency, respectively, [r.sub.ij] is the internuclear distance
, and [[tau].sub.c] is the effective correlation time which modulates the i-j magnetic interaction.
The differences among the Cu-F bonds can be entirely attributed to the different Cu-F internuclear distances
: as Cu-F lengthens, [[rho].sub.b], [[nabla].sup.2][[rho].sub.b], and [[lambda].sub.3b] decrease in absolute value.
Based on the relationship between NOE and internuclear distances
, one can give the expression of distance in each conformer
Halogen bonding reduces internuclear distances
up to twenty percent as compared to the all Van der waals distances .
(ii) the homo- and heteronuclear dipolar interactions, which are spatial in nature and related to the internuclear distances
. (iii) the scalar through bond J interaction, which is characteristic for chemical bonding between nuclei.
The derived molecular properties, such as rotational and centrifugal distortion constants, hyperfine structure constants, electric dipole moments, rotational g-factors and internuclear distances
(for diatomic molecules) are listed with one standard deviation uncertainties for all species.