Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
(A) HOMOs and LUMOs of Flav7 (1) and (5,6 and 8)-Flav7 (3–5) at M06–2X/6–31+G(d,p) level of theory. Polymethine chains were omitted for clarity. Explicit frontier molecular orbital information can be found in the SI. (B) Table of calculated λmax,calc,abs (nm) determined by theoretical HOMO-LUMO gap (eV). Δ is the difference between experimental and calculated λmax,abs.
