How to build ferrocene in materials studio

Liu J, Yan JL, Yuan XW, Liu KQ, Peng JX, Fang Y (2008) A novel low-molecular-mass gelator with a redox active ferrocenyl group: tuning gel formation by oxidation. Yan JL, Lin J, Sun YH, Jing P, He PL, Gao D, Fang Y (2010) Oligo(FcDC-co-CholDEA) with ferrocene in the main chain and cholesterol as a pendant group-preparation and unusual properties. Novel helical aggregation modes as detected by circular-dichroism and electron-microscopic observation. Murata K, Aoki M, Suzuki T, Harada T, Kawabata H, Komori T, Ohseto F, Ueda K, Shinkai S (1994) Thermal and light control of the sol-gel phase-transition in cholesterol-based organic gels. Lin YC, Weiss RG (1987) A novel gelator of organic liquids and the properties of its gels. Tong X, Zhao Y, An BK, Park SY (2006) Fluorescent liquid-crystal gels with electrically switchable photoluminescence.

Patel AR, Remijn C, Heussen PCM, den Adel R, Velikov KP (2013) Novel low-molecular-weight-gelator-based microcapsules with controllable morphology and temperature responsiveness. George M, Weiss RG (2003) Primary alkyl amines as latent gelators and their organogel adducts with neutral triatomic molecules. Haines SR, Harrison RG (2002) Novel resorcinarene-based pH-triggered gelator. Morris KL, Chen L, Raeburn J, Sellick OR, Cotanda P, Paul A, Griffiths PC, King SM, OвЂ™Reilly RK, Serpell LC, Adams DJ (2013) Chemically programmed self-sorting of gelator networks. Wang R, Geiger C, Chen LH, Swanson B, Whitten DG (2000) Direct observation of sol-gel conversion: the role of the solvent in organogel formation. Soft matter comprised of low-molecular-mass organic gelators and organic liquids. George M, Weiss RG (2006) Molecular organogels. Terech P, Weiss RG (1997) Low molecular mass gelators of organic liquids and the properties of their gels. Moriyama M, Mizoshita N, Yokota T, Kishimoto K, Kato T (2003) Photoresponsive anisotropic soft solids: liquid-crystalline physical gels based on a chiral photochromic gelator. Otero TF, Sansinena JM (1998) Soft and wet conducting polymers for artificial muscles. Kerres JA (2001) Development of ionomer membranes for fuel cells. Finally, our study demonstrated that the combination of MD and QM represents an effective approach to investigate conductive-gel systems. This suggests that the former is a favorable system for electron transport. The results indicated that the electron transfer integrals of the Fc-LS/1-pentanol system are larger than those of the Fc-LS/methanol system. Charge-transfer properties of the Fc-LS/methanol and Fc-LS/1-pentanol systems were also investigated by quantum mechanical (QM) calculations. Calculation of diffusion coefficients showed that the Fc-LS/1-pentanol system behaves like a gel over a wide range of temperatures, while the Fc-LS/methanol system behaves more like a liquid. In the Fc-LS/1-pentanol system, the Fc-LS molecules dispersed uniformly in the solvent in addition, the solvent molecules gathered around the Fc-LS molecules. In the Fc-LS/methanol system, Fc-LS molecules aggregated into clusters stabilized by intermolecular hydrogen bonds. Our results showed that Fc-LS molecules form a gel in 1-pentanol, but not in methanol. Molecular dynamics (MD) simulations were carried out to investigate the conformations of a ferrocenyl cholesteryl N-formanidoformamide (Fc-LS) gelator in methanol and 1-pentanol.

How to build ferrocene in materials studio