TY - JOUR
T1 - Solid-Liquid Equilibrium and Thermodynamic Analysis of Transition Metal Complexes Supported by Bis(imino)pyridine in Different Solvents
AU - Li, Xinyan
AU - Ma, Xiaoli
AU - Zhang, Wenyue
AU - Pang, Ziyuan
AU - Yang, Cancan
AU - Yang, Zhi
N1 - Publisher Copyright:
© 2024 American Chemical Society.
PY - 2024/4/11
Y1 - 2024/4/11
N2 - In this work, a static analysis method was used to measure the solubility data of L1 (1) (L1 = 2, 6-bis{1-[(2-isopropylphenyl)imino]ethyl}pyridine) in five pure solvents, and L1Zn (2) (L1Zn = [2, 6-bis{1-[(2-isopropylphenyl)imino]ethyl}pyridine]ZnCl2) and L1Mn (3) (L1Mn = [2, 6-bis{1-[(2-isopropylphenyl)imino]ethyl}pyridine]MnCl2) in four pure solvents. Based on the results of the experiment, it was concluded that the solubility of the three complexes also increased as the temperature increased. Eight thermodynamic models were used to correlate experimental solubility data. The results yielded a good fit with an average absolute relative deviation (ARD) of less than 3.5% and an average root mean square deviation (RMSD) of less than 0.15% for these models. In addition, the range of molecular electrostatic potentials of the three compounds was obtained by molecular electrostatic potential analysis. Reasons for solubility differences were analyzed by calculating the Hansen solubility parameters of L1. The solubility data measured in this paper can provide a theoretical basis and reference standard for the selection of reaction and recrystallization solvents in future experiments.
AB - In this work, a static analysis method was used to measure the solubility data of L1 (1) (L1 = 2, 6-bis{1-[(2-isopropylphenyl)imino]ethyl}pyridine) in five pure solvents, and L1Zn (2) (L1Zn = [2, 6-bis{1-[(2-isopropylphenyl)imino]ethyl}pyridine]ZnCl2) and L1Mn (3) (L1Mn = [2, 6-bis{1-[(2-isopropylphenyl)imino]ethyl}pyridine]MnCl2) in four pure solvents. Based on the results of the experiment, it was concluded that the solubility of the three complexes also increased as the temperature increased. Eight thermodynamic models were used to correlate experimental solubility data. The results yielded a good fit with an average absolute relative deviation (ARD) of less than 3.5% and an average root mean square deviation (RMSD) of less than 0.15% for these models. In addition, the range of molecular electrostatic potentials of the three compounds was obtained by molecular electrostatic potential analysis. Reasons for solubility differences were analyzed by calculating the Hansen solubility parameters of L1. The solubility data measured in this paper can provide a theoretical basis and reference standard for the selection of reaction and recrystallization solvents in future experiments.
UR - http://www.scopus.com/inward/record.url?scp=85189041558&partnerID=8YFLogxK
U2 - 10.1021/acs.jced.4c00028
DO - 10.1021/acs.jced.4c00028
M3 - Article
AN - SCOPUS:85189041558
SN - 0021-9568
VL - 69
SP - 1758
EP - 1771
JO - Journal of Chemical and Engineering Data
JF - Journal of Chemical and Engineering Data
IS - 4
ER -