Theoretical investigation on the linear and nonlinear optical properties of DAPSH crystal

C Valverde, R Medeiros, LR Franco, FAP Osório… - Scientific Reports, 2023 - nature.com
The linear polarizability, first and second hyperpolarizabilities of the asymmetric unit of
DAPSH crystal are studied and compared with available experimental results. The …

Study of Nonlinear Optical Properties of a Self-Healing Organic Crystal

C Valverde, FAP Osório - ACS omega, 2024 - ACS Publications
Recently a noncentrosymmetric single crystal of a dibenzoate derivative, namely, dimethyl-4,
4′-(methylenebis (azanediyl)) dibenzoate, with second harmonic generation activities at …

Multifaceted Study of a Y-Shaped Pyrimidine Compound: Assessing Structural Properties, Docking Interactions, and Third-Order Nonlinear Optics

KM Potla, P Nuthalapati, JT Sasi Mohan, FAP Osório… - ACS …, 2024 - ACS Publications
In this study, we report the synthesis of a new compound, N 4, N 4-dimethyl-2-
(methylsulfanyl)-N 6-(4-phenoxyphenyl) pyrimidine-4, 6-diamine (DMS), and its …

Understanding Nonlinear Optical Phenomena in N-Pyrimidinyl Stilbazolium Crystals via a Self-Consistent Electrostatic Embedding–DFT Approach

R Medeiros, LR Franco, FAP Osório, C Valverde… - ACS …, 2024 - ACS Publications
Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) have
been used to investigate the nonlinear optical (NLO) properties of phenolic N-pyrimidinyl …

A methodical investigation on stilbazolium derivative substituted with 2, 4-Dichlorobenzaldehyde as a donor: An effective crystal for optical device fabrication

L Poornima, RS Babu - Inorganic Chemistry Communications, 2024 - Elsevier
For a couple of decades, nonlinear optics (NLO) has garnered significant attention due to its
widespread application in optical systems. In this viewpoint, a new 2-[2 (2, 4-Dichloro …

Exploring the nonlinear optical properties of hypoxanthinium salts: a structural and computational analysis

H Athmani, A Direm, FAP Osório, C Valverde - Journal of Molecular …, 2024 - Springer
Context In this study, we detail the synthesis and crystallographic characterization of an
unprecedented structure, specifically hypoxanthinium chloride monohydrate ((I) hereafter) …

Synthesis, characterization, and supramolecular analysis of a novel chalcone derivative: exploring nonlinear optical applications

LB Costa, CAFE Santos, JE Queiroz… - … Lincei. Scienze Fisiche …, 2024 - Springer
Chalcones have gained attention due to their wide range of biological activities, including
anticancer, antimalarial, antimicrobial, antitubercular, antimutagenic, anti-inflammatory, and …