1992/10/15 by Craig Wall, Eamonn F. Healy, Marye Anne Fox · 1 citation
Chemistry · Biochemistry, Genetics and Molecular Biology · Physics and Astronomy · #Photochemistry and Electron Transfer Studies #DNA and Nucleic Acid Chemistry #Spectroscopy and Quantum Chemical Studies
paper · doi:10.1002/qua.560440412
openalex publication_date 1992/10/15 · openalex created_date 2025/10/10 · openalex updated_date 2026/06/24
Abstract To explain observed electron transfer rates between the terminal aromatic moieties in the arylsubstituted alanine dimer 1 , a conformational analysis of the dipeptide was performed using a standard molecular mechanics force field. The resulting low‐energy conformers could conveniently be grouped into two families with an average energy difference of ca. 2 kcal mol −1 and populations of 64% and 30%, respectively. These results correlate well with the 78:22 ratio of the two experimentally distinguishable decay processes for the radical anion of 1 . © 1992 John Wiley & Sons, Inc.