An experimental and computational study on the material dispersion of 1-alkyl-3-methylimidazolium tetrafluoroborate ionic liquids
Rodríguez-Fernández, Carlos Damián; Arosa Lobato, Yago; Algnamat, Bilal Saleh Mohammad; López Lago, María Elena; Fuente Carballo, Raúl de la
- Published
- 2020-05-02
- Publisher
- Royal Society of Chemistry
- Language
- en
Abstract
The material dispersion of the [Ckmim][BF4] (k = 2, 3, 4, 6, 7, 8, 10) family of ionic liquids is measured at several temperatures over a broad spectral range from 300 nm to 1550 nm. The experimental curves are fitted to a modified three-resonance Sellmeier model to understand the effects of temperature and alkyl chain length on the dispersion behaviour. From the parameters of the fitting, we analyze the influence that the different constituents of these ionic liquids have on the dispersion behaviour. In addition, a semi-empirical approach combining simulated electronic polarizabilities and experimental densities for predicting the material dispersion is successfully tested by using a direct comparison with the experimental results. The limitations of this method are analyzed in terms of the molecular structure of the ionic liquids. The results of this work aim to increase our knowledge about how the molecular structure of an ionic liquid influences its material dispersion. Understanding this influence is fundamental to producing ionic liquids with tailored optical properties.
Full text
S1 Supporting Information AnExperimentalandComputationalStudyonMaterial Dispersionof1‐Alkyl‐3‐Methylimidazolium TetrafluoroborateIonicLiquids Carlos Damián Rodríguez Fernándeza, Yago Arosaa, Bilal Algnamata,b, Elena López Lagoa*, Raúl de la Fuentea a Nanomateriais, Fotónica e Materia Branda (NaFoMat), Departamento de Física Aplicada e Departamento de Física de Partículas, Universidade de Santiago de Compostela, Campus Vida, E-15782 Santiago de Compostela, Spain bDepartment of Physics, College of Science, Al-Hussein Bin Talal University, Ma’an, Jordan *Corresponding author: elena.lo[email protected] Table S1. Experimental densities in g/cm3 of the selected ILs at 11 different temperatures. ρ (g/cm3) T (K) [C2Mim] [BF4] [C3Mim] [BF4] [C4Mim] [BF4] [C6Mim] [BF4] [C7Mim] [BF4] [C8Mim] [BF4] [C10Mim] [BF4] 293 1.284358 1.238723 1.204041 1.148754 1.126412 1.105994 1.066633 295 1.282830 1.237252 1.202615 1.147344 1.125030 1.104628 1.065257 297 1.281303 1.235780 1.201193 1.145930 1.123640 1.103250 1.063879 299 1.279776 1.234306 1.199769 1.144513 1.122252 1.101871 1.062504 301 1.278257 1.232833 1.198353 1.143160 1.120861 1.100490 1.061129 303 1.276741 1.231365 1.196937 1.141802 1.119475 1.099112 1.059756 305 1.275226 1.229899 1.195519 1.140441 1.118134 1.097730 1.058382 307 1.273712 1.228434 1.194140 1.139080 1.116799 1.096369 1.057007 309 1.272196 1.226969 1.192694 1.137711 1.115456 1.095046 1.055636 311 1.270689 1.225511 1.191276 1.136346 1.114119 1.093716 1.054265 313 1.269186 1.224050 1.189870 1.134985 1.112780 1.092389 1.052892 Electronic Supplementary Material (ESI) for Physical Chemistry Chemical Physics. This journal is © the Owner Societies 2020
S2 Table S2. Experimental refractive index at selected wavelengths at T=293 K (the letters correspond to the denomination of the Fraunhofer lines) P (336.1 nm) F (486.1 nm) D (589.3 nm) He:Ne (633 nm) Z (822.7 nm) (1470 nm) [C2Mim][BF4] 1.4398 1.4185 1.4129 1.4114 1.4073 1.4025 [C3Mim][BF4] 1.4465 1.4247 1.4190 1.4173 1.4130 1.4077 [C4Mim][BF4] 1.4505 1.4287 1.4229 1.4213 1.4168 1.4114 [C6Mim][BF4] 1.4571 1.4353 1.4296 1.4280 1.4236 1.4184 [C7Mim][BF4] 1.4594 1.4377 1.4319 1.4303 1.4261 1.4210 [C8Mim][BF4] 1.4611 1.4394 1.4337 1.4321 1.4279 1.4235 [C10Mim][BF4] 1.4655 1.4438 1.4380 1.4364 1.4321 1.4274 Table S3. Experimental refractive index at selected wavelengths at T=303 K. P (336.1 nm) F (486.1 nm) D (589.3 nm) He:Ne (633 nm) Z (822.7 nm) (1470 nm) [C2Mim][BF4] 1.4372 1.4159 1.4103 1.4088 1.4047 1.3999 [C3Mim][BF4] 1.4435 1.4219 1.4162 1.4146 1.4104 1.4052 [C4Mim][BF4] 1.4477 1.4260 1.4202 1.4186 1.4143 1.4089 [C6Mim][BF4] 1.4541 1.4324 1.4267 1.4251 1.4209 1.4158 [C7Mim][BF4] 1.4563 1.4348 1.4291 1.4275 1.4233 1.4185 [C8Mim][BF4] 1.4581 1.4365 1.4308 1.4292 1.4250 1.4204 [C10Mim][BF4] 1.4623 1.4407 1.4350 1.4334 1.4292 1.4244 Table S4. Experimental refractive index at selected wavelengths at T=313 K. P (336.1 nm) F (486.1 nm) D (589.3 nm) He:Ne (633 nm) Z (822.7 nm) (1470 nm) [C2Mim][BF4] 1.4346 1.4133 1.4078 1.4062 1.4021 1.3972 [C3Mim][BF4] 1.4405 1.4190 1.4135 1.4119 1.4078 1.4028 [C4Mim][BF4] 1.4449 1.4233 1.4176 1.4160 1.4117 1.4064 [C6Mim][BF4] 1.4511 1.4295 1.4239 1.4223 1.4181 1.4132 [C7Mim][BF4] 1.4533 1.4319 1.4263 1.4247 1.4206 1.4159 [C8Mim][BF4] 1.4551 1.4335 1.4279 1.4263 1.4221 1.4174 [C10Mim][BF4] 1.4592 1.4377 1.4320 1.4304 1.4262 1.4214
