Detection of Chemical Weapon Agents Using Spectroscopic Probes: A Computational Study

Table 5

Energy and emission wavelengths of the oxime/organophosphate complex in eight solvents.

OP		Hexane	Toluene	Chloroform	DCM	Methanol	Acetonitrile	Water	DMSO
DCP	λ (nm)	746.7	754.0	742.3	735.3	721.4	722.2	720.2	734.2
	E (eV)	1.66	1.64	1.67	1.68	1.72	1.71	1.72	1.69
GV	λ (nm)	423.6	434.5	426.5	422.4	411.6	413.2	411.5	426.2
	E (eV)	2.92	2.85	2.91	2.93	3.01	3.00	3.01	2.91
VG	λ (nm)	577.7	582.4	574.7	570.8	562.3	563.3	561.9	572.0
	E (eV)	2.14	2.13	2.15	2.17	2.20	2.20	2.21	2.16

DCP (diethyl chlorophosphate), GV (2-(dimethylamino)ethyl N,N-dimethylphosphoramidofluoridate), and VG (O,O-diethyl-S-[2-(diethylamino)ethyl] phosphorothioate). Dichloromethane solvent (DCM); dimethyl sulfoxide (DMSO).