Thiophene-containing pechmann dyes and related compounds: Synthesis, and experimental and DFT characterisation

Chemistry - A European Journal

Volumn 18, Issue 2, 2012, Pages 695-708

  Kantchev, Eric Assen B ^a   Norsten, Tyler B ^a,c   Tan, Marilyn L Y ^a   Ng, Joey J Y ^a   Sullivan, Michael B ^b  

^a INSTITUTE OF MATERIALS RESEARCH AND ENGINEERING   (Singapore)

^b INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

^c 3M COMPANY   (United States)

Author keywords

density functional calculations; dyes pigments; lactams; lactones; thiophene

Indexed keywords

AMIDATION; BLUE SHIFT; C-C DOUBLE BONDS; CLOSE-IN; DFT COMPUTATIONS; DYES/PIGMENTS; HETEROATOMS; LACTAMS; LACTONES; LOW SENSITIVITY; LUMO ENERGY; OPTICAL AND ELECTRONIC PROPERTIES; RED SHIFT; RELATED COMPOUNDS; RING JUNCTION; SHARP INCREASE; THIOPHENE RING; TIME-DEPENDENT DFT; UV/ VIS SPECTROSCOPY; VOLTAMMETRY MEASUREMENTS;

AMIDES; CHROMOPHORES; DENSITY FUNCTIONAL THEORY; DIHEDRAL ANGLE; ELECTRONIC PROPERTIES; ORGANIC SOLVENTS; THIOPHENE; ULTRAVIOLET VISIBLE SPECTROSCOPY;

CYCLIC VOLTAMMETRY;

COLORING AGENT; LACTAM; LACTONE; THIOPHENE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY; SYNTHESIS; THERMODYNAMICS;

COLORING AGENTS; LACTAMS; LACTONES; MODELS, MOLECULAR; QUANTUM THEORY; THERMODYNAMICS; THIOPHENES;

EID: 84855334382     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201101903     Document Type: Article

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