Table 1 Energies of the frontier molecular orbitals of INDTR and INDTD1–INDTD8.

From: Exploration of the effect of multiple acceptor and π–spacer moieties coupled to indolonaphthyridine core for promising organic photovoltaic  properties: a first principles framework

Compounds

EHOMO

ELUMO

Egap

INDTR

 − 5.793

 − 3.505

2.288

INDTD1

 − 5.766

 − 3.506

2.260

INDTD2

 − 5.794

 − 3.539

2.255

INDTD3

 − 5.816

 − 3.579

2.237

INDTD4

 − 5.814

 − 3.576

2.238

INDTD5

 − 5.892

 − 3.705

2.187

INDTD6

 − 5.817

 − 3.583

2.234

INDTD7

 − 5.898

 − 3.715

2.183

INDTD8

 − 5.905

 − 3.729

2.190

  1. Units are reported in eV.
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