C₅₀H₈₀N₂O₄ (ProSQ-C16)

Polymers and photoresists anisotropic

4 datasets, together covering 0.3001–1.688 µm. Default: Bernhardt et al. 2024: Enantiomerically pure; n,k(o) 0.300–1.69 µm.

Compare datasets

Tick datasets in the list to add them to the plot (up to 12).

Datasets

Bernhardt et al. 2024: Enantiomerically pure; n,k(o) 0.300–1.69 µm n,k 0.3001–1.688 µm default
Bernhardt et al. 2024: Enantiomerically pure; n,k(e) 0.300–1.69 µm n,k 0.3001–1.688 µm
Bernhardt et al. 2024: Racemic mixture; n,k(o) 0.300–1.69 µm n,k 0.3001–1.688 µm
Bernhardt et al. 2024: Racemic mixture; n,k(e) 0.300–1.69 µm n,k 0.3001–1.688 µm

Use it in Lightsmith

Load this data in Python, simulate in one more line

pip install lightsmith

import lightsmith as ls

# C50H80N2O4 (ProSQ-C16): Bernhardt et al. 2024: Enantiomerically pure; n,k(o) 0.300–1.69 µm
c50h80n2o4 = ls.fetch_refractiveindex("organic", "ProSQ-C16", "Bernhardt-SS-RR-o", ref="c5c2f188e848453def5970e347399d653df2ffc2")
print(c50h80n2o4.range_nm)  # (300.11, 1688.47) nm
eps = c50h80n2o4.eps([633])  # complex permittivity

Downloads the original record once (pinned to the imported snapshot) and caches it.

import json, urllib.request
import lightsmith as ls

url = "https://materials.lightsmith.dev/v1/datasets/ds_9945f6100ab6/lightsmith"
c50h80n2o4 = ls.Tabulated.model_validate(json.load(urllib.request.urlopen(url)))
print(c50h80n2o4.source)  # citation and provenance travel with the data

Any dataset here, as the library's Tabulated material (prosq-c16/bernhardt-2024-ss-rr-o).

# ... load c50h80n2o4 as above, then:
sim = ls.Simulation(
    particles=[ls.Particle(shape=ls.Sphere(radius_nm=50), material=c50h80n2o4)],
    medium_index=1.0,
    wavelengths=ls.WavelengthRange(start_nm=400, stop_nm=1000, num=81),
)
res = ls.solve(sim)  # exact Mie for a sphere
print(res.q_ext)     # extinction efficiency at each wavelength

Same spec runs with DDA, FDTD, BEM or T-matrix: ls.compare(sim, ["mie", "dda"]).

Materials guide Open a sphere of it in Studio Quick start Ask the community

Lightsmith is open source (MIT): Mie, T-matrix, BEM, DDA, FDTD, RCWA, TMM, mode solvers and inverse design behind one spec, on CPU or GPU. GitHub.

About C50H80N2O4 (ProSQ-C16)

ProSQ-C16 is an organic squaraine dye known for its strong absorption and emission in the near-infrared region. With a molecular formula of C₅₀H₈₀N₂O₄, it features a squaraine core linked to long alkyl chains containing 16 carbon atoms each. These extended chains enhance the dye's solubility and film-forming properties, making it suitable for various optoelectronic applications. ProSQ-C16 exists in two enantiomerically pure forms, (S,S)-ProSQ-C16 and (R,R)-ProSQ-C16, as well as in a racemic mixture called rac-ProSQ-C16. The enantiomerically pure forms, (S,S) and (R,R), share the same complex refractive index. However, the racemic mixture exhibits different optical properties and a different complex refractive index due to the presence of both enantiomers. This dye is of significant interest for its chiroptical properties, such as circular dichroism and optical activity, making it valuable in studies of molecular chirality and supramolecular chemistry.

Other names: C50H80N2O4, C₅₀H₈₀N₂O₄

API: /v1/materials/mat_8b838a392805 · slug prosq-c16