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Table 5 Main experimental and vertical excitation energies of batesiin (2) along with oscillator strengths and transitions

From: Experimental and computational studies of an antiplasmodial derivative of allantoin; antimycobacterial essential oil from Cordia batesii WERNHAM (Boraginaceae)

Experimental

Excitation energy (nm)

Oscillator strength

Electronic transition

 

CHCl3

EtOH

CHCl3

EtOH

CHCl3

EtOH

287

283.89

270.11

0.0025

0.0026

aH–2 → bL + 1

aH–2 → bL + 1

296

299.01

289.70

0.0171

0.0153

aH–3 → bL

bH–3 → bL

304

327.69

315.59

0.0084

0.0079

aH–1 → bL

aH–1 → bL

  1. aH: HOMO
  2. bL: LUMO