Racemization mechanisms and electronic circular dichroism of [4]heterohelicenium dyes: A theoretical study

Journal of Physical Chemistry A

Volumn 115, Issue 43, 2011, Pages 12025-12033

  Elm, Jonas ^a   Lykkebo, Jacob ^a   Sørensen, Thomas J ^a   Laursen, Bo W ^a   Mikkelsen, Kurt V ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

ADDUCT FORMATION; BASIS SETS; BRIDGING GROUPS; BULKY SUBSTITUENTS; CARBENIUM ION; CONFIGURATIONAL STABILITY; DESIGN STRATEGIES; DIFFERENT STRUCTURE; DYE COMPOUND; ELECTRONIC CIRCULAR DICHROISM; ELECTRONIC NATURES; HELIX PITCH; HETEROATOM SUBSTITUTION; HETEROATOMS; MAGNETIC TRANSITIONS; NUCLEOPHILIC ATTACK; RACEMIZATION MECHANISM; ROTATIONAL STRENGTH; SPECIAL CLASS; SUBSTITUTION PATTERNS; TARGET STRUCTURE; THEORETICAL STUDY;

DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES;

DICHROISM;

COLORING AGENT; HELICENES; POLYCYCLIC HYDROCARBON;

ARTICLE; CHEMISTRY; CIRCULAR DICHROISM; CONFORMATION; ELECTRON; QUANTUM THEORY; STEREOISOMERISM;

CIRCULAR DICHROISM; COLORING AGENTS; ELECTRONS; MOLECULAR CONFORMATION; POLYCYCLIC COMPOUNDS; QUANTUM THEORY; STEREOISOMERISM;

EID: 80055047922     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp206885h     Document Type: Article

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