Electronic structures and spectral characteristics of the six C32 fullerene isomers

An investigation into the structural, electronic, and non-linear optical properties in CN (N = 20, 24, 26, 28, 30, 32, 34, 36, and 38) fullerene cages

“…The C 70 and C 60 fullerene cages were much larger and much more stable than the C 32 fullerene cage. However, neutral C 32 seems to have a much larger HOMO-LUMO gap value than those of C 70 (1.3 eV) and C 60 (1.6 eV)[30].The EA of C 32 was experimentally reported as ∼2.8 eV[31]. In our theoretical results (DFT/CAM-B3LYP level), EA ad of C 32 fullerene cage was obtained at 3.025 eV.…”

“…The charges were on twelve atoms and their color was red and its shades. Lin et al [30] 2). All components of μ and β 0 values were calculated as zero.…”