Excited state intramolecular proton transfer (ESIPT) in 2-(2′-hydroxyphenyl)benzoxazole and its naphthalene-fused analogs: A TD-DFT quantum chemical study

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 118, Issue , 2014, Pages 228-238

  Roohi, Hossein ^a   Hejazi, Fahimeh ^a   Mohtamedifar, Nafiseh ^a   Jahantab, Mahjobeh ^a  

^a UNIVERSITY OF GUILAN   (Iran)

Author keywords

AIM; ESIPT; Excitation energy; H bonding; PBE1PBE

Indexed keywords

AIM; ELECTRON TRANSPORT MATERIALS; ESIPT; EXCITED-STATE INTRAMOLECULAR PROTON TRANSFER; H-BONDING; INTRAMOLECULAR PROTON TRANSFER; INTRAMOLECULAR PROTON TRANSFER REACTIONS; PBE1PBE;

EXCITATION ENERGY; EXCITED STATES; ISOMERS; LIGHT EMITTING DIODES; MOLECULES; PROTON TRANSFER; QUANTUM CHEMISTRY; RATE CONSTANTS;

NAPHTHALENE;

2-(2'-HYDROXYPHENYL)BENZOXAZOLE; BENZOXAZOLE DERIVATIVE; NAPHTHALENE; NAPHTHALENE DERIVATIVE; PROTON; SOLVENT;

CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HYDROGEN BOND; ISOMERISM; QUANTUM THEORY; STATIC ELECTRICITY; THERMODYNAMICS; TIME;

BENZOXAZOLES; HYDROGEN BONDING; ISOMERISM; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NAPHTHALENES; PROTONS; QUANTUM THEORY; SOLVENTS; STATIC ELECTRICITY; THERMODYNAMICS; TIME FACTORS;

EID: 84883871488     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2013.08.068     Document Type: Article

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