Research Article

Spectroscopic Identification of Neurotoxin Tetramethylenedisulfotetramine (TETS) Captured by Supramolecular Receptor β-Cyclodextrin Immobilized on Nanostructured Gold Surfaces

Table 1

Observed frequencies and tentative band assignments of major peak in ATR-FTIR spectrum of TETS/HEXS inclusion in mono-thiol- -CD anchored on 10 nm Au NPs immobilized on a gold surface (Figure 4(a) (vi)).

Experimental frequency
(cm−1)
AssignmentsCalculated frequency
(cm−1)c
CDaTETS/HEXSb

1414 s OCH, CCH (1415 cm−1 m) CH2 twist, wag (1386–1400 cm−1 s)1400 wm

1366 vs CCH, OCH, COH (1365 cm−1 m)SO2 antisym. stretching (1361 cm−1 s)1344 vs

1233–1223 mCH2 rocking (1246 cm−1 w)1240 wm

1198 mr CO, Φ CCH, COH (1197 cm−1 w)CN stretching (1199 cm−1 m)1204 s

1154 vsr CO, r CC, Φ COH, Φ COC (1155 cm−1 s)SO2 sym. stretching (1151 cm−1 vs)1155 wm, 1134 vs, 1106 vs

1086 s, broadr CO, Φ COH, r CC (1087–1102 cm−1 vs)

1045 vs, broadr CC, Φ COH, Φ CCH, Φ CCO, r CC (1014–1051 cm−1 vs)

1006 m, shoulderCN stretching (1000 cm−1 m)1008 m

946 vs
904 m
Skeletal vib. -1,4 linkage (945 cm−1 s)NSN antisym. and sym. stretching (904–931 cm−1 vs, broad)d931 vs

879 mΦ CCH, r CO, r CC (849 cm−1 m)NSN antisym. and sym. stretching (842–878 cm−1 s, m)d847 s

722 vsNCN bend (719 cm−1 vs)693 s

Assignment according to the CD vibrational bands of bound CD on a gold surface based on those in reference [43].
bAssignment according to the TETS/HEXS vibrational bands of a powder sample based on sulfamide [46], and hexamethylenetetramine [47, 48].
cVibrational bands of TETS and HEXS from Figure 4b.
dThe antisymmetric vibrational bands are at higher wavenumbers, while the symmetric vibrational bands are at lower wavenumbers.