Quantum-chemical analyses of aromaticity, UV spectra, and NMR chemical shifts in plumbacyclopentadienylidenes stabilized by Lewis bases

Journal of Computational Chemistry

Volumn 35, Issue 11, 2014, Pages 847-853

  Kawamura, Toshiaki ^a,b   Abe, Minori ^a,b   Saito, Masaichi ^c   Hada, Masahiko ^a,b  

^a TOKYO METROPOLITAN UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c SAITAMA UNIVERSITY   (Japan)

Author keywords

aromaticity; chemical shift; five membered ring; lead; NMR; nuclear spin spin coupling; Pb; plumbole; relativistic effect; ZORA

Indexed keywords

AROMATIZATION; CHEMICAL ANALYSIS; DENSITY FUNCTIONAL THEORY; LEAD; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE; ORGANIC COMPOUNDS; ORGANIC SOLVENTS; PYRIDINE; QUANTUM CHEMISTRY; RELATIVITY; SILICON; ULTRAVIOLET SPECTROSCOPY;

AROMATICITIES; FIVE-MEMBERED RINGS; PLUMBOLE; RELATIVISTIC EFFECTS; SPIN-SPIN COUPLINGS; ZORA;

CHEMICAL SHIFT;

EID: 84896545167     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23556     Document Type: Article

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