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. 2009 Sep 19;15(2):203–212. doi: 10.1007/s00775-009-0585-6

Table 2.

Experimental [4850] and calculated quadrupole splittings (mm/s)

ΔE Q (S4) ΔE Q (S3N)
Experimental 0.53 0.53
1 0.33 1.27
2 0.33 0.59
3 0.45 1.14
4 0.43 1.23