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Effect of Coordination Modes on the Tunable Luminescence of 1,10‐Phenanthroline‐Based Complexes
Author(s) -
Zhang HongRui,
Jin XinXin,
Zhou Xin,
Zhang Yunxia,
Leung ChiFai,
Xiang Jing
Publication year - 2019
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.201800168
Subject(s) - luminescence , chemistry , ligand (biochemistry) , perchlorate , phenanthroline , coordination complex , crystallography , coordination polymer , coordination number , density functional theory , crystal structure , photochemistry , computational chemistry , ion , materials science , metal , organic chemistry , receptor , biochemistry , optoelectronics
Two luminescent compounds [Zn( L ) 2 ](ClO 4 ) 2 ( 1 ) and [Na( L )(MeOH)( μ ‐ClO 4 )] n ( 2 ) are obtained from the reactions of 2,9‐bis(carbomethoxy)‐1,10‐phenanthroline ( L ) with corresponding hydrated perchlorate salts in MeOH. Their crystal structures are determined by X‐ray crystallography. 1 is a mononuclear 8‐coordinate Zn 2+ compound and 2 is a ClO 4 − ‐bridged 1D polymer, where the ligand L exhibits different coordination modes (carbonyl O vs methoxyl O coordination). Although the luminescence of these two compounds originates similarly from the ligand‐centered π→π* transitions, it is interesting to note that their emissions are significantly influenced by the different coordination modes of L . The relationship between their structures and emission properties has been investigated in detail. The stability and energy difference between these two coordination modes in these two compounds are analyzed by Time‐dependent density functional theory (TD‐DFT) calculations.