Table 4 Calculated \({E}_{L-H}\), \({E}_{opt}\) and \({E}_{b}\) of investigated chromophores (DTPR and DTPD1-DTPD6).

From: Designing of banana shaped chromophores via molecular engineering of terminal groups to probe photovoltaic behavior of organic solar cell materials

Molecules

\({E}_{\mathrm{L}-\mathrm{H}}\)(eV)

\({E}_{\mathrm{opt}}\)(eV)

\({E}_{\mathrm{b}}\)(eV)

DTPR

2.717

2.118

0.599

DTPD1

2.441

1.887

0.554

DTPD2

2.167

1.747

0.420

DTPD3

2.408

1.863

0.545

DTPD4

2.634

1.836

0.798

DTPD5

2.706

2.072

0.634

DTPD6

2.634

2.043

0.591

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