Frontier orbital energy calculator
The HOMO energy of the donor is ...
The LUMO energy of the acceptor is ...
This calculator is based on the exciplex database method (EDBM) published in: Advanced Materials, 2026, e73113.
Please cite the paper when you use the frontier orbital energies calculated by this method.
Recipe
1. Prepare a quartz substrate and select a donor and an acceptor material, either of which is a known material in the following list.
2. Deposit a thin film (~50 nm) of the donor-acceptor blend (50:50 mol%) on the substrate, preferably using thermal evaporation.
3. Measure the photoluminescence of the film and determine whether this is due to exciplex emission.
4. If exciplex emission is seen, enter the material names and the PL peak wavelength to calculate the frontier orbital energies.
Extra. When you publish an article about new donor-acceptor combinations that yield exciplex emission, we kindly ask you to inform prof.dr. Reinder Coehoorn so that the combination is included in updated versions of the database.
Known material list
| Donor | Acceptor |
|---|---|
| 13AB | 10tBuspoCz-Trz |
| 13PXZB | 2,7-tDCN |
| 26DCzPPy | 24iTBiOXD |
| 2-Ac | 26DCzPPy |
| 2CzCN | 2-BpPht |
| 2-Ome-4OMePh | 2BrCPT |
| 2-Ome-Ph | 2CzPN |
| 2Ph2Cz | 2DBSOSPO |
| 2tCzPy | 2PO |
| 2TNATA | 2tBuspoCz-Trz |
| 35DCzPPy | 3,4-CN |
| 3CzFDPhTz | 3-BpPht |
| 3-Ome-4OMePh | 3Cz-Trz |
| 3-Ome-Ph | 3DBSOSPO |
| 3tCzPy | 3N-T2T |
| 4-Ac | 3PO |
| 4tCzPy | 3P-Pyr |
| 9PhFDPhTz | 3P-T2P |
| ACzCN | 3P-T2T |
| AdCz-DBT | 3TPYMB |
| AVB-BF2 | 4-BpPht |
| BCC-36 | 4CzIPN |
| BCFN | 4DBSOSPO |
| BCz3Ph | 58p-QN |
| BCzPh | Alq3 |
| BCzPh-mimi | ANHC |
| BCzPh-pimi | APDC-tPh |
| BFPC | ASFT |
| BPBCz | AuDPPy |
| BTBTPDF | AVB-BF2 |
| BTCb-Ph-Bi | B1PPQ |
| BTCb-Py-Bi | B2PyMPM |
| BTCz-Ph-Bi | B3PyMPM |
| BTCz-Py-Bi | B4PyMPM |
| BTFPC | B4PyPPM |
| CBP | BAlq |
| CBZ2F1 | BCP |
| CDBP | BCz-TRZ |
| CFC2 | BDHFLCNPy |
| CMA2 | BFPD |
| CMA2CN | BH |
| CMA2OMe | bisCNterpy |
| CN-Cz2 | BM-A10 |
| CPF | BP4mPy |
| CPTBF | BPD |
| Cz3d | BPhen |
| Cz-DBT | BPSPF |
| CzPm | BpyOXD |
| CzSi | BrCPT |
| CzSiCz | BTPS |
| CzTPA | Cao1 |
| CzTT | Cao2 |
| DABNA-1 | CBP |
| DBFPO | C-BphCN |
| DBT-DMAC | CbPyCN |
| DBT-SADF | CDBP |
| DCDPA | CNAI-tPh |
| dCzPSi | CNAI-Trz |
| dCzPSO2 | CN-CHO |
| DD-HPB | CN-COCF3 |
| DDT-HPB | CNCzPyDFCN |
| DEX | CNDFPyCzCN |
| DMAC-DPS | CNHC |
| DMAC-MPM | CNmCBPCN |
| DMAC-Trz | CNmCBPCN |
| DNTPD | CNmSi-2DBF-Trz |
| DPNC | CNmSi-4DBF-Trz |
| DPSF | CNmSi-Trz |
| DPSTPA | CNSFX |
| DSDTAF | CN-T2T |
| D-SiCzCz | CNterpy |
| DspiroAC-Trz | CPP |
| DTAF | CPQ |
| DTF | CPT |
| DTSF | CyPh2Pht2 |
| eCzdBF | Cz4FS |
| F2ARC | CzDBA |
| F2Cz | CzOxa |
| F2PTZ | CzPhB |
| FCF | CzPyCN |
| FFF | CzT2.1 |
| FL2 | CzT2.2 |
| FL3 | CzTrz-a |
| FSF4A | CzTrz-b |
| HT1 | CzTrz-c |
| IDCzBP | DBFTRZ |
| Ir(ppy)3 | DBTrz |
| Ir-817 | DBT-Trz |
| Ker1 | DCNCzEtCz |
| Ker2 | DCNSFX |
| Ker3 | DDCzTrz |
| MAC | diDBFTrz |
| mCBP | DMAC-DPS |
| mCP | DMAC-Trz |
| mCPPO1 | DMIC-Trz |
| mCzPPQ | DNPHB |
| MeBBCz | DPB |
| MeBicol | DPOPht2 |
| MeO-TPD | DPPA |
| m-MTDATA | DpPBITPO |
| m-NPDa | DPS-XA |
| mPXTMP | DPTPCz |
| mPXTP | DSFX-PIM-Trz |
| MTDATA | DSiCzTrz |
| mTPA-PPI | D-SiTrzCz2 |
| NPB | DTDP-Trz |
| oCBP | DTrz |
| o-NPDa | DTRZSFX |
| PCzAC | DTS-XA |
| pCzPPQ | DTTrzDF1 |
| PDCz-CN | DTTrzDF2 |
| PH2 | DTTrzDFph3 |
| Ph2Cz | ET8 |
| PH3 | F2Py |
| PhCNCzm-MeCzPh | FIrPic |
| PhCNCzp-Me | Gd(DBM)3(phen) |
| PhCNCzp-MeCzPh | HAP-3MF |
| phCzCn | IC2 |
| PhCzm-Me | iTPBIOXD |
| PhCzp-Me | iTPBiPy |
| Ph-O-TCTA | iTPyBiB |
| p-NPDa | iTPyBiPy |
| POSTF | Ker3 |
| POZ-PQ | Liang1 |
| POZ-SA | Liang2 |
| pPhBCzPh | Liang3 |
| PPO21 | Lu(DBM)3(phen) |
| Pra-2DMAC | mCBP |
| Prm-2DMAC | mCBP2CN |
| PTCz-3TCz | m-CN |
| PTCz-9Cz | mCzPPQ |
| PTCz-Ntol2 | m-QCN |
| PtON-TBBI | mSI-2CzTrz |
| PTZ-PQ | mSiTrz |
| R/S-CzOBN | mSiTrzCzCN |
| RS-TPPT | mSiTrz-mCN |
| SBF1TPA | mSiTrz-oCN |
| SBF3TPA | mSiTrz-pCN |
| SBFC-G1 | N-BPhCN |
| SBFCz | nBPhen |
| SFBCz | OCT |
| SiCz | o-CzOXD |
| SiCzCz | oTPOTZ |
| SiDMAC | Oxa3d |
| SimCP | OXD-7 |
| SimCP2 | p-CN |
| SimCP3 | pCNBCzoCF3 |
| Spiro-BPA | pCzPPQ |
| STPy3 | PCzTrz |
| STPy4 | pDPB |
| TAPC | pDPBITPO |
| TATT | PH5 |
| TBDI | PhPO |
| TBPCA | PhTRZ |
| tBu-CBP | PIM-Trz |
| tBuFPhCz | POPH |
| tBu-mCP | PO-Pyr |
| tBuTCTA | PO-T2P |
| TCBPA | PO-T2T |
| TCP | POZ-DBPHZ |
| TCTA | PPCzTrz |
| TCz1 | PPh3O |
| t-DCDPA | PPSPP |
| TDDP | PPT |
| THCA | p-QCN |
| TPA-3 | pSiTrz |
| TPAF | PtL2Cl |
| TPAFPO | pTPOTZ |
| TPAPB | PyPySPyPy |
| TPA-TZ | R/S-TRZ |
| TPB | SBF1Trz |
| TPD | SBF1Trz |
| TPD10 | SBF3Trz |
| TPDI | SBF3Trz |
| TPF | SBFTrz |
| TPXZPO | SF3-Trz |
| Tr-iBu | SFTrz |
| Tris-PCz | SFX-PIM-Trz |
| Tr-Me | SiCzTrz |
| Tr-Ph | SiTrz |
| Tr-Tol | SiTrzCz2 |
| TrzPhCz | SpiroAC-Trz |
| TSBPA | Spiro-DPVBi |
| TTT-HPh-AC | STO |
| TTT-MePh-AC | T2T |
| TXO-TPA | TAZ |
| α-CPTBF | tBuCzDBA |
| α-MADN | t-Bu-PBD |
| β-CPTBF | t-Cbz-SO |
| TCNDPFCz | |
| TCNSFX | |
| TCz-Trz | |
| Tm3PyBPZ | |
| Tm3PyP26PyB | |
| TmPPPyTz | |
| TmPyPB | |
| TPBi | |
| tPDBA | |
| TPO | |
| TPOBa | |
| TPOBb | |
| TPTZ | |
| TPTZ | |
| TRZ | |
| Trz-1SO2 | |
| Trz-2SO2 | |
| TRZOBN | |
| Trz-ON | |
| TrzSFX | |
| TrzSiTrz | |
| TSiCz | |
| TSPO1 | |
| TXO-P-Si | |
| UGH-2 | |
| Y(DBM)3(phen) | |
| α-MADN |