http://rdf.ncbi.nlm.nih.gov/pubchem/patent/CN-109438519-A
Outgoing Links
| Predicate | Object |
|---|---|
| assignee | http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_53b4d53983adbf56dd0e7d0bf96f8ce5 |
| classificationCPCAdditional | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/C09K2211-185 |
| classificationCPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/C09K11-06 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/C07F15-004 |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/C09K11-06 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/C07F15-00 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G16C10-00 |
| filingDate | 2018-11-26-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor | http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_28b486be91777f424e7380804953b373 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_2bda0d0bdd6239e14b1136a3ab2d7ad6 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_8f6c11f014abc474328f1a814b94accc http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_390e71cd6358a3db9854f86c862bcb0a http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_0bf99d69c56ec8c13d80bbb466379a2a http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_449b5017e4ad2deceb817c862f831464 |
| publicationDate | 2019-03-08-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | CN-109438519-A |
| titleOfInvention | Preparation methods of green light materials and orange light materials based on molecular design of Ir(bt)2(acac) cyclometallic ligands |
| abstract | The present invention provides methods for preparing green light materials and orange light materials based on Ir(bt) 2 (acac) cyclometallic ligands based on molecular design, including first optimizing the Ir(bt) 2 (acac) cyclometallic ligands by using density functional Then, based on the optimized ground state molecular structure, the frontier orbitals and absorption spectra of the complexes were calculated by the time-dependent density functional method. Then, based on the optimized S 0 configuration, UB3LYP was used to open the The shell method optimizes the triplet geometry of the complex, stretches the Ir(bt) 2 (acac) cyclic metal-ligand bond in the optimized S 0 configuration, and then optimizes the deformed molecule after stretching. The invention adopts the computational simulation technology of quantum mechanics. In the development and performance improvement of luminescent materials, a suitable parent is selected to carry out molecular design first according to this strategy, and then experimental synthesis is carried out according to the simulation results, and in the actual synthesis process, more efficient Orange light and green light organic optoelectronic functional materials with excellent performance can be obtained. |
| isCitedBy | http://rdf.ncbi.nlm.nih.gov/pubchem/patent/WO-2021093888-A1 |
| priorityDate | 2018-11-26-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
Total number of triples: 70.