Analysis of One-Bond Se-Se Nuclear Couplings in Diselenides and 1,2-Diselenoles on the Basis of Molecular Orbital Theory: Torsional Angular Dependence, Electron Density Influence, and Origin in ¹𝐽(Se,Se)

Table 1

Observed ¹𝐽_obsd(Se, Se) values of some selenium compounds.

Compound	^1𝐽obsd(Se, Se) [Hz]	Comment
tBuSeSeMe	2.7	(a)
nBuSeSeMe	36.3	(a)
MeSeSePh	22	(a)
o-O2NC6H4SeSeCN	64	(b)
2 (Y = Me)	379.4	This work
2 (Y = Cl)	375.9	This work
2 (Y = NO2)	330.8	This work

^(a) References [9, 16]. ^(b) References [9, 17].