λ (nm) E (eV) ( f ) Major contribution Assignment Region Bands
Gas  
434.66 2.852 0.001 H→L (92) n→π* Visible R-band (German, radikalartig)
314.21 3.946 0.002 H→L (89) n→π* Quartz UV
312.12 3.962 0.002 H→L (86) n→π* Quartz UV
DMSO  
271.82 4.561 0.003 H→L-1 (90) n→π* Quartz UV R-band (German, radikalartig)
230.01 5.390 0.009 H→L-1 (90) n→π* Quartz UV
228.07 5.436 0.002 H→L-1 (87) n→π* Quartz UV
204.60 6.059 0.063 H+1→L-1 (83) σ→σ* Quartz UV
Methanol  
272.39 4.551 0.0003 H→L-1 (86) n→π* Quartz UV R-band (German, radikalartig)
231.30 5.360 0.009 H→L-1 (85) n→π* Quartz UV
228.26 5.431 0.002 H→L-1 (78) n→π* Quartz UV
207.42 5.977 0.068 H+1→L-1(77) σ→σ* Quartz UV
Ethanol  
273.0 4.541 0.0003 H+1→L (86) n→π* Quartz UV R-band (German, radikalartig)
232.72 5.327 0.009 H+1→L-1 (85) n→π* Quartz UV
228.50 5.425 0.002 H→L-1 (78) n→π* Quartz UV
207.89 5.964 0.069 H+1→L-1(74) σ→σ* Quartz UV
Acetone  
273.54 4.532 0.0004 H+1→L (90) n→π* Quartz UV R-band (German, radikalartig)
234.01 5.298 0.009 H→L-1 (83) n→π* Quartz UV
228.71 5.421 0.002 H→L-1 (88) n→π* Quartz UV
208.22 5.954 0.067 H+1→L-1(86) σ→σ* Quartz UV
H: HOMO; L: LUMO
Table 6: Theoretical electronic absorption spectra of L-Valine (absorption wavelength λ (nm), excitation energies E (eV) and oscillator strengths (f) using TD-DFT/B3LYP/6- 311++G(d,p) method.