HCNS
		Nitrogen and Deuterium
	Nuclear Quadrupole Coupling Constants
		in Thiofulminic Acid
	Calculation of 14N and 2H eQq's in HCNS was made on ro and reSE structures derived by McGuire et al. [1].  Calculated and experimental [1] eQq's are compared in Table 1.  Structure parameters are compared in Table 2.
	Table 1. Nitrogen and Deuterium eQq's in HCNS (MHz).  Calculation was made on thr ro and reSE structures. Calc ro Calc reSE Expt [1]     14N eQq - 0.514 - 0.573 - 0.723(2)     2H eQq 0.229 0.218 0.1958(4)
	Table 2.  HCNS Molecular structure parameters (Å).    ro [1] reSE [1] HC 1.051(1) 1.059(1) CN 1.169(3) 1.160(2) NS 1.593(3) 1.600(2)
	[1] B.A.McGuire, M.-A.Martin-Drumel, S.Thorwirth, S.Brünken, V.Lattanzi, J.L.Neill, S.Spezzano, Z.Yu, D.P.Zaleski, A.J.Remijan, B.H.Pate, and M.C.McCarthy, Phys.Chem.Chem.Phys. 18,22693(2016).
	HSCN		HSNC		HNCS
	HOCN		HONC		HNCO		HCNO
	Table of Contents
	Molecules/Nitrogen
	Molecules/Deuterium
						HCNS.html
						Last Modified 17 Oct 2016