title: How Electronic Excitation Can be Used to Inhibit Some Mechanisms Associated to Substituent Effects.
abstract: Despite the fact that transferability and chemistry go hand in hand, transferability studies in electronically excited states (EESs) are normally omitted, although these states are becoming extremely important in modern processes and applications. In this work, it is shown that this kind of studies can be used to understand how substituent effects can be modified in EESs. Thus, for example, the analysis of the carbonyl oxygen transferability in different HCO-R molecules allowed us to find that the nO→πCO* excitation can be used to break the π conjugation associated to the resonance substituent effect. Moreover, as a direct consequence, the oxygen transferability is enhanced in the first electronically excited state.
authors.affiliation: Departamento de Química Física, Universidade de Vigo, Facultade de Química, Lagoas-Marcosende s/n, 36310, Vigo, Galicia, Spain. davidferro@uvigo.es.
authors.forename: David
authors.initials: D
authors.lastname: Ferro-Costas
authors.affiliation: Departamento de Química Física y Analítica, Facultad de Química, Universidad de Oviedo, 33006-, Oviedo, Spain.
authors.forename: Evelio
authors.initials: E
authors.lastname: Francisco
authors.affiliation: Departamento de Química Física y Analítica, Facultad de Química, Universidad de Oviedo, 33006-, Oviedo, Spain.
authors.forename: Ángel
authors.initials: Á
authors.lastname: Martín Pendás
authors.affiliation: Departamento de Química Física, Universidade de Vigo, Facultade de Química, Lagoas-Marcosende s/n, 36310, Vigo, Galicia, Spain.
authors.forename: Ricardo A
authors.initials: RA
authors.lastname: Mosquera
keywords: carbonyl group; excited states; substituent effects; transferability; π conjugation