title: Marine natural products from the deep Pacific as potential non-linear optical chromophores.
abstract: Theoretical analysis using quadratic response theory within the time-dependent density functional theory (TDDFT) formalism shows that the dermacozines, a group of phenazine-based compounds isolated from cultures of Dermacoccus abyssi found in the Mariana Trench, possess large first hyperpolarisability (β) values at common incident laser wavelengths that are highly sensitive to the degree and type of substitution of the core structure. The phenazine moiety is a versatile and tunable chromophore for non-linear optics and this work serves to highlight the potential that (marine) natural products, even those found in the darkest places on the planet, may have for aiding developments in optical materials design.
authors.affiliation: Centre for Computational Physics, Department of Physics, University of Coimbra, Rua Larga, 3004-516, Coimbra, Portugal. bruce@teor.fis.uc.pt.
authors.forename: Bruce F
authors.initials: BF
authors.lastname: Milne
authors.forename: Patrick
authors.initials: P
authors.lastname: Norman
authors.forename: Fernando
authors.initials: F
authors.lastname: Nogueira
authors.forename: Cláudia
authors.initials: C
authors.lastname: Cardoso
mesh_terms: D000192:Actinomycetales / Q000737:chemistry*; D001688:Biological Products / Q000032:analysis*; D008958:Models, Molecular; D055095:Optics and Photonics; D010619:Phenazines / Q000032:analysis*
chemical_list: D001688:Biological Products; D010619:Phenazines