Evidence for side-chain π-delocalization in a planar substituted benzene: An experimental and theoretical charge density study on 2,5-dimethoxybenzaldehyde thiosemicarbazone

Journal of Physical Chemistry A

Volumn 115, Issue 45, 2011, Pages 12512-12522

  Farrugia, Louis J ^a   Khalaji, Aliakbar Dehno ^b  

^a UNIVERSITY OF GLASGOW   (United Kingdom)

^b GOLESTAN UNIVERSITY   (Iran)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC GRAPHS; BENZENE RING; BOND PATHS; DELOCALIZATION INDEXES; DELOCALIZATIONS; DFT CALCULATION; INTERCHAIN BONDS; METHOXY; NEAREST NEIGHBORS; OXYGEN ATOM; QUANTUM THEORY OF ATOMS IN MOLECULES; SIDE-CHAINS; SINGLE BOND; SOURCE FUNCTIONS; SUBSTITUTED BENZENES; THIOAMIDES; THIOSEMICARBAZONES; TOPOLOGICAL BOND ORDER;

ATOMS; BENZENE; BOND STRENGTH (CHEMICAL); MOLYBDENUM; QUANTUM CHEMISTRY; QUANTUM THEORY; X RAY DIFFRACTION;

TOPOLOGY;

BENZENE; THIOSEMICARBAZONE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY;

BENZENE; MOLECULAR STRUCTURE; QUANTUM THEORY; THIOSEMICARBAZONES;

EID: 80855129518     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp2026169     Document Type: Article

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