Frontier orbital energy calculator
The HOMO energy of the donor is ...
The LUMO energy of the acceptor is ...
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 |