Premium
Inside Cover, Volume 114, Issue 24
Publication year - 2014
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24810
Subject(s) - homo/lumo , cover (algebra) , excited state , pyridine , copper , physics , crystallography , chemistry , atomic physics , quantum mechanics , molecule , organic chemistry , mechanical engineering , engineering
The cover shows the HOMO and LUMO frontier orbital plots of copper(I) complexes containing the pyrazolyl‐pyridine ligands. The large spatial separation of the HOMO and LUMO leads to the small splitting gap (ΔE ST ) between the lowest excited singlet and excited triples state, which plays an important role on the photophysical properties of copper(I) complexes. On page 1685 (DOI: 10.1002/qua.24746 ), Qiang Li, Sheng‐Xian Xu, Jing‐Lan Wang, Hong‐Ying Xia, Feng Zhao, and Yi‐Bo Wang report the absorption and emission properties of copper(I) complexes based on the charge transfer amount calculations, the spatial separation of the HOMO and LUMO, and vertical excitation energies.