Journal of Materials / 2013 / Article / Tab 1

Research Article

Synthesis, Crystal Growth, Spectroscopic and Electrical Properties of 5-tert-Butyl-1,2,3-trinitrobenzene

Table 1

The comparison of FT-Raman and FT-Infrared spectral data of TBTB and their tentative assignment.

Raman (cm−1)Infrared (cm−1)Tentative assignment

3242 bC–H str
3087 w3084 wC–H str
2973 m2960 sCH3 asym str
2911 mC–H str
2860 wC–H str
1628 mN=O str
1593 w1597 wRing breathing
1531 m1526 sC–H deform
1448 w1480 mC–H def, s.c. ring str
1415 w1418 mC–H in-plane bending
1364 s1367 mC–N str
1321 s1314 sRing breathing
1304 sN=O2 sym str
1264 s1254 mC–N str
1162 s1147 wC–H i.p. def
1104 wC–H i.p. def
922 m915 mC–C str
827 m831 mC–H o.p. bending
726 m712 mC–H o.p. def, NO2 def
646 mC–H o.p. bending, C–C–C o.p. def
528 w590 mC–C–N i.p. def
514 wC–C–C i.p. def
427 wC–CN i.p. bending

Asym: asymmetric; def: deformation; i.p.: in-plane; in-phase; m: medium; op: out-of plane; s: strong; str: stretch; sym: symmetric; v: very; w: weak; s.c: semi circle; b: broad.

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