The effect of furcated hydrogen bond and coordination bond on luminescent behavior of metal-organic framework [CuCN·EIN]: A TDDFT study

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 97, Issue , 2012, Pages 589-593

  Wu, Danyang ^a   Mi, Weihong ^a   Ji, Min ^a   Hao, Ce ^a   Qiu, Jieshan ^a  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Charge; Coordination bonding; Electronically excited state; Furcated hydrogen bonding; MOFs; Transfer

Indexed keywords

CHARGE; COORDINATION BONDING; COORDINATION BONDS; DFT AND TDDFT; ELECTRONIC CONFIGURATION; FRONTIER MOLECULAR ORBITALS; GEOMETRIC STRUCTURE; IR SPECTRUM; LIGAND-TO-METAL CHARGE TRANSFERS; METAL ORGANIC FRAMEWORK; MOFS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TRANSFER; VIBRATION FREQUENCY;

BINDING ENERGY; CHARGE TRANSFER; COMPLEXATION; DENSITY FUNCTIONAL THEORY; EXCITED STATES; LIGANDS; LUMINESCENCE; METALS; MOLECULAR ORBITALS; STRENGTHENING (METAL);

HYDROGEN BONDS;

COPPER; ORGANIC COMPOUND; ORGANOMETALLIC COMPOUND;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; ELECTRON; HYDROGEN BOND; INFRARED SPECTROPHOTOMETRY; LUMINESCENCE; QUANTUM THEORY; THERMODYNAMICS; TIME;

COPPER; ELECTRONS; HYDROGEN BONDING; LUMINESCENCE; MODELS, CHEMICAL; MOLECULAR CONFORMATION; ORGANIC CHEMICALS; ORGANOMETALLIC COMPOUNDS; QUANTUM THEORY; SPECTROPHOTOMETRY, INFRARED; THERMODYNAMICS; TIME FACTORS;

EID: 84865293180     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.07.014     Document Type: Article

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