Slow evaporation solution growth technique was adopted to grow good quality urea salicylic acid (USA) single crystals. Single-crystal X-ray diffraction confirmed their cell parameters and corresponding space group. Density functional theory (DFT) calculation was utilized to assess the frontier molecular orbital (FMO) and natural bonding orbitals (NBO) of the USA compound. Theoretically calculated bandgap energy was slightly different from the measured value of 3.49 eV and is utilized in understanding the charge transfer taking place in the molecule. The sample showed a lower cutoff wavelength of 350 nm. FTIR confirmed the presence of relevant functional groups and was found to be thermally stable up to 117 °C. The specific heat capacity of the title compound was found to be 1.28 J/kg/K at 30 °C. Laser damage threshold energy of USA crystal was found to be 1.37 GW/cm². The electrical behaviour of the crystal was analysed from dielectric measurements. The mechanical stability revealed that the title compound is a soft material. Third-order nonlinear optical property of USA compound was analysed using standard Z-scan technique, which showed better characteristics compared to various reported comparable crystals.

采用缓慢蒸发溶液生长技术来生长高质量的尿素水杨酸（美国）单晶。单晶X射线衍射证实了它们的细胞参数和相应的空间群。密度泛函理论（DFT）计算用于评估美国化合物的前沿分子轨道（FMO）和自然键合轨道（NBO）。理论上计算出的带隙能与3.49 eV的测量值略有不同，可用于理解分子中发生的电荷转移。样品显示出较低的截止波长350 nm。FTIR证实存在相关的官能团，并且发现在高达117°C的温度下具有热稳定性。发现标题化合物在30℃下的比热容为1.28J / kg / K。²。通过介电测量分析晶体的电性能。机械稳定性表明标题化合物是软材料。使用标准的Z扫描技术分析了USA化合物的三阶非线性光学性质，与各种报道的可比较晶体相比，它具有更好的特性。