TY - JOUR
T1 - Electrophilicity and solvatochromic reversal of pyridinium phenolate betaine dyes
AU - Rezende, Marcos Caroli
AU - Aracena, Andrés
PY - 2012/7/23
Y1 - 2012/7/23
N2 - The solvatochromic reversal of phenolate betaine dyes may be theoretically rationalized and predicted by determining the flow direction of their internal charge-transfer in media of increasing polarity, with the aid of the electrophilicities of the donor and acceptor moieties, or of the corresponding electrophilic Fukui functions. The protocol was applied to ten examples from the literature.
AB - The solvatochromic reversal of phenolate betaine dyes may be theoretically rationalized and predicted by determining the flow direction of their internal charge-transfer in media of increasing polarity, with the aid of the electrophilicities of the donor and acceptor moieties, or of the corresponding electrophilic Fukui functions. The protocol was applied to ten examples from the literature.
UR - http://www.scopus.com/inward/record.url?scp=84863715939&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2012.06.017
DO - 10.1016/j.cplett.2012.06.017
M3 - Article
AN - SCOPUS:84863715939
SN - 0009-2614
VL - 542
SP - 147
EP - 152
JO - Chemical Physics Letters
JF - Chemical Physics Letters
ER -