TDDFT study on intramolecular hydrogen bond of photoexcited methyl salicylate

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 120, Issue , 2014, Pages 529-533

  Qu, Peng ^a   Tian, Dongxu ^a  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Absorption spectra; Hydrogen bonded complex; Orbital transition; TDDFT; Vibrational redshift

Indexed keywords

ABSORPTION SPECTRA; ABSORPTION SPECTROSCOPY; ELECTROMAGNETIC WAVE ABSORPTION; EXCITED STATES; GROUND STATE; MOLECULAR ORBITALS;

EQUILIBRIUM GEOMETRIES; FRONTIER MOLECULAR ORBITALS; HYDROGEN-BONDED COMPLEXES; INTRA-MOLECULAR HYDROGEN BONDS; LOW-LYING EXCITED STATE; ORBITAL TRANSITION; RED SHIFT; TDDFT;

HYDROGEN BONDS;

SALICYLIC ACID DERIVATIVE; SALICYLIC ACID METHYL ESTER;

ABSORPTION SPECTRA; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; HYDROGEN BOND; HYDROGEN BONDED COMPLEX; INFRARED SPECTROPHOTOMETRY; ORBITAL TRANSITION; PHOTOCHEMISTRY; QUANTUM THEORY; TDDFT; VIBRATIONAL REDSHIFT;

ABSORPTION SPECTRA; HYDROGEN BONDED COMPLEX; ORBITAL TRANSITION; TDDFT; VIBRATIONAL REDSHIFT;

ELECTRONS; HYDROGEN BONDING; MODELS, MOLECULAR; PHOTOCHEMICAL PROCESSES; QUANTUM THEORY; SALICYLATES; SPECTROPHOTOMETRY, INFRARED;

EID: 84891589346     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2013.11.112     Document Type: Article

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