Hyper-Rayleigh scattering of adenine, thymine, and cytosine in neat water

Christian Jonin; Estelle Salmon; Pierre-François Brevet

doi:10.1063/5.0069623

Hyper-Rayleigh scattering of adenine, thymine, and cytosine in neat water

J Chem Phys. 2021 Nov 28;155(20):204306. doi: 10.1063/5.0069623.

Authors

Christian Jonin¹, Estelle Salmon¹, Pierre-François Brevet¹

Affiliation

¹ Institut Lumière Matière, UMR CNRS 5306, Université Claude Bernard Lyon 1, 10 Rue Ada Byron, F-69622 Villeurbanne Cedex, France.

PMID: 34852481
DOI: 10.1063/5.0069623

Abstract

The first hyperpolarizabilities of the DNA bases thymine and cytosine were determined by hyper-Rayleigh scattering in neat water despite their low solubility. Due to the low intensity levels collected, count statistics were performed instead of the standard dilution procedure. The first hyperpolarizabilities were found to be β_Thymine = (2.99 ± 0.44) × 10^-30 esu for thymine and β_Cytosine = (3.35 ± 0.21) × 10^-30 esu for cytosine. Due to its weak solubility, only an upper limit β_Adenine < (1.82 ± 0.10) × 10^-30 esu could be set for adenine. The first hyperpolarizability of guanine could not be measured because of its very weak solubility. Theoretical static and 800 nm dynamic first hyperpolarizability tensor elements were also computed with Gaussian 09 for comparison.