Elucidation of Organohalogenochromism (OHC) of D-A Pyridinium and D-π-A Pyridinium Dyes: Effect of Halogen Bond.

ABSTRACT: Bathochromic shift-type OHC (b-OHC) was found in donor-acceptor (D-A) type pyridinium dye bearing halide ion as a counter anion, as well as donor-π-acceptor (D-π-A) type pyridinium dye; the intramolecular charge transfer-based photoabsorption maxima (λ_max ^abs) in halogenated solvents show a large bathochromic shift, in comparison with those in non-halogenated solvents. It was revealed that there is a good relationship between the most positive surface electrostatic potential (V_S,max) values associated with the most positive σ-hole on halogen atoms in organohalogen molecule and the λ_max ^abs, indicating that the b-OHC of the D-A and D-π-A pyridinium dyes is attributed to the formation of halogen bond (XB) or complex such as [R─X·Y]^-

SUBMITTER: Kozuka K 

PROVIDER: S-EPMC12450044 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature