Theoretical and experimental investigations on mono-substituted and multi-substituted functional polyhedral oligomeric silsesquioxanes

Xia, Yafeng; Yao, Hongtao; Cui, Meifang; Ma, Yan; Kong, Zhineng; Wu, Baoying; Qi, Zhengjian; Sun, Yueming

doi:10.1039/c5ra14298a

Cited by 12 publications

(7 citation statements)

References 50 publications

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“…POSS–SH is prepared according to our previous work [ 46 ]. The resulting viscous solution was dissolved in CH 2 Cl 2 and then washed three times with H 2 O.…”

Section: Methodsmentioning

confidence: 99%

Facile Synthesis and Self-Assembly of Amphiphilic Polyether-Octafunctionalized Polyhedral Oligomeric Silsesquioxane via Thiol-Ene Click Reaction

et al. 2017

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We demonstrated here a facile and efficient synthesis of polyhedral oligomeric silsesquioxane-based amphiphilic polymer by thiol-ene click chemistry. The properties of polyhedral oligomeric silsesquioxane (POSS)–PEG amphiphilic polymers were studied in detail by a combination of 1H NMR, 13C NMR, 29Si NMR FT-IR, GPC, and TG analysis. The newly-designed thiol-ene protocol obtains only anti-Markovnikov addition POSS-based amphiphilic polymers when compared with platinum-catalysed hydrosilylation method. The critical micelle concentration (CMC) of the resulting polymers are in the range of 0.011 to 0.050 mg/mL, and dynamic light scattering (DLS) results revealed that the obtained amphiphilic polymers can self-assemble into nanoparticles in aqueous solutions with a bimodal (two peaks) distribution. Furthermore, the specific polymer showed obvious thermo-sensitive behaviour at 45.5 °C.

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“…POSS–SH is prepared according to our previous work [ 46 ]. The resulting viscous solution was dissolved in CH 2 Cl 2 and then washed three times with H 2 O.…”

Section: Methodsmentioning

confidence: 99%

Facile Synthesis and Self-Assembly of Amphiphilic Polyether-Octafunctionalized Polyhedral Oligomeric Silsesquioxane via Thiol-Ene Click Reaction

et al. 2017

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“…There are very few theoretical studies on the POSS structures. B3LYP, which is an accurate and well known method, is widely used for the POSS studies . Skelton compared MP2, B3LYP, and wB97XD methods for the interaction of POSS with CO 2 , N 2 , O 2 , CO, CH 4 , He, and H 2 O by keeping the cage structure fixed.…”

Section: Poss Models and Calculation Methodsmentioning

confidence: 99%

Density functional theory study of interactions between carbon dioxide and functionalized polyhedral oligomeric silsesquioxanes

Tezsevin

Demirtas

Önal

et al. 2017

Int J of Quantum Chemistry

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Polyhedral Oligomeric Silsesquioxanes (POSS) are cage‐structured inorganic–organic hybrid materials which can be used in various industrial applications. It is recently discovered that POSS structures with certain functional groups can be solubilized in supercritical CO2 allowing their applications in environmentally benign supercritical processing of materials. In this theoretical study, nature and energetics of the interactions of octatrifluoropropyl POSS, octatrifluoromethyl POSS, and octamethyl POSS with CO2 are investigated according to the principles of density functional theory (DFT) by use of Gaussian 09 software. Simulations show that CO2‐octamethyl POSS pair has hydrogen bonding between the O atom of CO2 and the H atom of the methyl group, and CO2‐octatrifluoromethyl POSS pair has interactions between the C atom of CO2 and the F atom of the trifluoromethyl group. CO2‐octatrifluoropropyl POSS pair is found to have both interaction types. The octamethyl, the octatrifluoromethyl and the octatrifluoropropyl POSS structures have interaction energies of −2.18 kcal/mol, −3.10 kcal/mol, and −3.77 kcal/mol, respectively. This shows that the presence of Lewis acid–Lewis base interaction between C and F instead of hydrogen bonding between O and H atoms enhances the interaction of the molecule with CO2, while the presence of both interactions between the octatrifluoropropyl POSS‐CO2 pair makes the intermolecular interaction even stronger.

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“…According to the previously established literature [36][37][38], a synthesis was performed in a 1000 mL round-bottom flask, to which was added 500 mL of methanol (MeOH), 30 Scheme 1. Terpolymerization of AGE, PO, and CO 2 catalyzed by ZnGA.…”

Section: Synthesis Of Poss-shmentioning

confidence: 99%

Organic–Inorganic Hybrid Materials: Tailoring Carbon Dioxide-Based Polycarbonate with POSS-SH Crosslinking

Li,

Liu,

et al. 2024

Polymers

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A novel functional polycarbonate (PAGC), characterized by the presence of double bonds within its side chain, was successfully synthesized through a ternary copolymerization of propylene oxide (PO), allyl glycidyl ether (AGE), and carbon dioxide (CO2). Polyhedral oligomeric silsesquioxanes octamercaptopropyl (POSS-SH) was employed as a crosslinking agent, contributing to the formation of organic–inorganic hybrid materials. This incorporation was facilitated through thiol-ene click reactions, enabling effective interactions between the POSS molecules and the double bonds in the side chains of the polycarbonate. Scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDS) confirmed a homogeneous distribution of silicon (Si) and sulfur (S) in the polycarbonate matrix. The thiol-ene click reaction between POSS-SH and the polycarbonate led to a micro-crosslinked structure. This enhancement significantly increased the tensile strength of the polycarbonate to 42 MPa, a notable improvement over traditional poly (propylene carbonate) (PPC). Moreover, the cross-linked structure exhibited enhanced solvent resistance, expanding the potential applications of these polycarbonates in various plastic materials.

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Theoretical and experimental investigations on mono-substituted and multi-substituted functional polyhedral oligomeric silsesquioxanes

Cited by 12 publications

References 50 publications

Facile Synthesis and Self-Assembly of Amphiphilic Polyether-Octafunctionalized Polyhedral Oligomeric Silsesquioxane via Thiol-Ene Click Reaction

Facile Synthesis and Self-Assembly of Amphiphilic Polyether-Octafunctionalized Polyhedral Oligomeric Silsesquioxane via Thiol-Ene Click Reaction

Density functional theory study of interactions between carbon dioxide and functionalized polyhedral oligomeric silsesquioxanes

Organic–Inorganic Hybrid Materials: Tailoring Carbon Dioxide-Based Polycarbonate with POSS-SH Crosslinking

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