An Insight of the Results Provided by Color-Tuning Studies Made on Ir(III) Complexes: A pi-Neutral CF3 Group Viewed by Adjusting Energies of pi-type Molecular Orbitals

The pi‐nature of a CF3 group can be understood through analysis of its bond orbitals (BOs) mixed into the pi‐type molecular orbitals of CF3‐substituted Ir(ppy)2MDPA+ complexes (ppy=2‐phenyl‐pyridine and MDPA=methylated 2,2′‐dipyridyl amine). It has been found that, through this natural bond orbital...

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Veröffentlicht in:	Journal of the Chinese Chemical Society (Taipei) 2015-11, Vol.62 (11), p.939-943
Hauptverfasser:	Lin, Hung-Sung, Lu, Shou-Yun, Huang, Fu-Yung, Wu, Yan, Su, Wei-Lin, Wang, Shao-Pin
Format:	Artikel
Sprache:	eng
Schlagworte:	Ir(III) complexes MO-energy adjustment Trifluoromethyl Wavefunction analysis
Online-Zugang:	Volltext
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