Siti Amira Mat Hussin

Bio: Siti Amira Mat Hussin is an academic researcher from University of Malaya. The author has contributed to research in topics: Ionic liquid & Cyclam. The author has an hindex of 4, co-authored 5 publications receiving 29 citations.

Optimised thermally driven molecular stability of an SCO metal complex for TEC Seebeck generation enhancement

Abstract: The thermoelectricity effect allows the generation of electrical potential in an electrolyte upon application of a thermal gradient. In the previous work, the spin crossover effect in metal complexes was shown to be beneficial for generating a high Seebeck coefficient due to the high entropy associated with the conformational change accompanying the spin state change. In this study, we examine the diamagnetic stability of a spin crossover material through optimisation of the ligand chain length. We show that the diamagnetic stability of the spin crossover material can enhance the thermoelectrochemical Seebeck effect through ligand optimisation of the octahedral structure. The increase of carbon chain length from C14 to C16 in the long alkyl chain of the N-donor ligand increased Seebeck generation in a Co(III)L16 complex to 1.94-fold that of a previously studied paramagnetic Co complex, and in a Fe(III)L16 complex to 3.43-fold that of a less diamagnetic Fe complex. We show with DSC studies of an Fe based octahedral complex that an endothermic absorption accompanies the spin crossover transition, which enhances the Seebeck coefficient of this metal complex. Thus, we can correlate the diamagnetic stabilisation with temperature. We therefore indicate a molecular design strategy for optimisation of a spin crossover metal complex.

Complexes of nickel(II) carboxylates with pyridine and cyclam: crystal structures, mesomorphisms, and thermoelectrical properties

Abstract: Nickel(II) carboxylates [Ni(CH3(CH2)14COO)2(H2O)2] (1) and [Ni(C6H5COO)2(H2O)2] (2) were obtained from reactions of NiCl2·6H2O with CH3(CH2)14COONa and C6H5COONa, respectively. Complex 1 reacted with pyridine (pyr) to form [Ni(CH3(CH2)14COO)2(pyr)2(H2O)2] (3) and [Ni2(μ2-H2O)(CH3(CH2)14COO)4(pyr)4] (4) in the same reaction mixture, and reacted with cyclam to form an ionic complex, [Ni(CH3(CH2)14COO)(cyclam)(H2O)]CH3(CH2)14COO·4H2O (5). In contrast, 2 reacted with cyclam to form [Ni(C6H5COO)2(cyclam)] (6). Finally, 6 reacted with p-(hexadecyloxy)pyridine (L) to form an ionic complex, [Ni(cyclam)(L)2](C6H5COO)2 (7). Complexes 3–6 were single crystals. All complexes have octahedral Ni(II) center(s) and were magnetic. Complexes with cyclam as co-ligand were more thermally stable than those with pyridine and its derivative, L. Complexes 3 and 4 were mesomorphic after partial loss of water and/or pyridine ligands on heating. The ionic complexes 5 and 7 were not mesomorphic, but showed good thermoelectri...

Covalent and ionic Cu(II) complexes with cyclam and substituted benzoato ligands: structural, thermal, redox and mesomorphic properties

Abstract: A covalent mononuclear complex, [Cu(p–HOC6H4COO)2(cyclam)] (1), and two ionic mononuclear complexes, [Cu(cyclam)(H2O)2](p–CH3OC6H4COO)2 (2) and [Cu(cyclam)(H2O)2](p–CH3(CH2)15OC6H4COO)2·H2O (3), were formed from reaction of cyclam with [Cu2(p–HOC6H4COO)4(H2O)2], [Cu2(p–CH3OC6H4COO)4(H2O)2] and [Cu2(p-CH3(CH2)15OC6H4COO)4(H2O)2], respectively. These complexes were isolated as purple crystals with molecular structures showing distorted octahedral N4O2 geometry. Complexes 1 and 2 were irreversibly reduced to Cu(I) and oxidized to Cu(III), while 3 was redox inactive. Complex 2 reacted with N-(hexadecyl)isonicotinamide (L) to form [Cu(cyclam)(L)2](p–CH3OC6H4COO)2 (4). These complexes were thermally stable (Tdec > 200 °C for 1–3 and 174 °C for 4). Complexes 3 and 4 behaved as ionic liquids (melting temperatures lower than 100 °C) and exhibited mesomorphism.

Manufacturing Acidities of Hydrogen-Bond Donors in Deep Eutectic Solvents for Effective and Reversible NH3 Capture

Abstract: Solvents with appropriate acidity are required to simultaneously realize efficient and reversible absorption of NH3. To achieve this goal, a series of 1-ethyl-3-methylimidazolium ([emim]Cl)-based D...

Structure-electronics relations of discotic liquid crystals from a molecular modelling perspective

Abstract: Discotic liquid crystals (DLCs) have been researched for their potential in electronics applications, such as organic field-effect transistors, organic light-emitting diodes and organic photovoltaics. These molecules generally comprise a rigid planar core surrounded by aliphatic chains, and self-organise into columnar phases. Charge transfer is enabled along these columns, as the spatial overlap of the stacked π orbitals within the columns lead to a quasi-one-dimensional conductivity. An understanding of charge transfer and electronics orbitals in the field of DLCs is valuable for rational design of future DLC molecules in electronics applications. This paper provides a perspective that a range of molecular modelling tools may bring into our understanding on the structure, dynamics and electronics properties of DLCs. Whilst the description of charge transfer of DLCs has been substantially investigated, the understanding on the molecular orbitals had been relatively less explored. We introduce a mu...