Quantum-chemical study of spiro[indoline-2,2′-[2H]-chromenes] and their complexes with a silver cluster

Abstract

Computer modeling (DFT B3LYP/6-31G(d,p)/SDD) of the structure and spectral characteristics of photochromic 1,3,3,8′-tetramethyl-6′-formylspiro[indoline-2,2′-[2H]-chromene] and 1,3,3-trimethyl-6′-methoxy-8′-formyl[spiroindoline-2,2′-[2H]-chromene] complexes adsorbed onto the surface of a 10-atom silver cluster has been performed. It has been demonstrated that, depending on the position of the formyl group in the quinoline ring and the isomeric form of the spirocyclic compound, the change in the band intensity in Raman spectra caused by complexation with the silver cluster can reach three orders of magnitude.