Hydrogen bonding and coordination bonding in the electronically excited states of the MOF Cu2 (L)2 (L=5-(4-pyridyl)tetrazole) CH2Cl2: A time-dependent density functional theory study

Journal of Luminescence

Volumn 142, Issue , 2013, Pages 110-115

  Sui, Xiao ^a   Mi, Weihong ^a   Ji, Min ^a   Hao, Ce ^a   Qiu, Jieshan ^a  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Coordination bonding; Excited states; Hydrogen bonding; Luminescent MOF

Indexed keywords

COORDINATION BONDING; ELECTRONIC CONFIGURATION; ELECTRONICALLY EXCITED STATE; FRONTIER MOLECULAR ORBITALS; LIGAND-TO-METAL CHARGE TRANSFERS; LUMINESCENT METAL-ORGANIC FRAMEWORKS; LUMINESCENT MOF; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

CHARGE TRANSFER; CRYSTALLINE MATERIALS; DENSITY FUNCTIONAL THEORY; DICHLOROMETHANE; EXCITED STATES; JAVA PROGRAMMING LANGUAGE; LIGANDS; LUMINESCENCE; MOLECULAR ORBITALS;

HYDROGEN BONDS;

EID: 84877287169     PISSN: 00222313     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jlumin.2013.02.005     Document Type: Article

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