Molecular organization of a water-insoluble iridium(III) complex in mixed monolayers

Giner‐Casares, Juan J.; Pérez-Morales, Marta; Bolink, Henk J.; Muñoz, Eulogia; Miguel, Gustavo de; Martín‐Romero, María T.; Camacho, Luis

doi:10.1016/j.jcis.2007.06.015

Cited by 15 publications

(15 citation statements)

References 44 publications

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“…This corresponds to a lipid surface area of about 0.4 nm 2 per lipid molecule, and reproduces the solid phase of a DMPA monolayer. [20] In addition, 288 water molecules were substituted by 288 Na + ions to maintain electroneutrality of the system. Hence, the starting system was formed by 288 DMPA À , 288 Na + and 9780 SPCE water molecules , [21] that is, a total of 41 436 atoms.…”

Section: Models and Methodsmentioning

confidence: 99%

Methylene Blue Adsorption on a DMPA Lipid Langmuir Monolayer

et al. 2010

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Adsorption of methylene blue (MB) onto a dimyristoylphosphatidic acid (DMPA) Langmuir air/water monolayer is studied by molecular dynamics (MD) simulations, UV reflection spectroscopy and surface potential measurements. The free-energy profile associated with MB transfer from water to the lipid monolayer shows two minima of -66 and -60 kJ mol(-1) for its solid and gas phase, respectively, corresponding to a spontaneous thermodynamic process. From the position of the free-energy minima, it is possible to predict the precise location of MB in the interior of the DMPA monolayer. Thus, MB is accommodated in the phosphoryl or carbonyl region of the DMPA Langmuir air/water interface, depending on the isomorphic state (solid or gas phase, respectively). Reorientation of MB, measured from the bulk solution to the interior of the lipid monolayer, passes from a random orientation in bulk solution to an orientation parallel to the surface of the lipid monolayer when MB is absorbed.

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Section: Models and Methodsmentioning

confidence: 99%

Methylene Blue Adsorption on a DMPA Lipid Langmuir Monolayer

et al. 2010

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“…2 Recently, attention has been paid to a group of cyclometalated iridium(III) complexes because of their highly luminescent properties in the visible region. [3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21][22] They are regarded as a promising component for constructing emitting functional devices such as photo-diodes and oxygen sensors. 4 The stereochemical aspects of cyclometalated iridium(III) complexes are also an interesting issue since they provide a stable example of chiral meridional (mer)-and facial (fac)isomers.…”

Section: Introductionmentioning

confidence: 99%

“…In spite of these extensive works, however, there have been a limited number of works reporting on the properties of molecular films involving cylcometalated iridium(III) complexes. 15,22 One of such attempt is the preparation of Langmuir-Blodgett (LB) films by mixing water-insoluble iridium(III) complexes with amphiphilic molecules such as stearic acid and lipid phosphates. 15 It remains to be clarified yet how the photophysical properties of these complexes are affected when they form a pure molecular film with no additives.…”

Section: Introductionmentioning

confidence: 99%

Highly luminescent Langmuir–Blodgett films of amphiphilic Ir(iii) complexes for application in gas sensing

et al. 2010

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“…Therefore, the inversion of the reflectivity during the BAM experiment indicates that the thickness of the monolayer in the bright surrounding areas is significantly larger than inside the domains. [21] This increase in the thickness is related with the presence of the oligosquaramide C5 in the bright region of the monolayer, which in origin corresponds to the LE phase of the DPPC monolayer. The C5 provokes an effective reduction of the available area for the hydrocarbon chains of the DPPC lipid, leading to a stretching of the hydrocarbon chains.…”

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confidence: 98%