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Enhancement of two-photon absorption cross-section in macrocyclic thiophenes with cavities in the nanometer regime.

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The linear and nonlinear optical properties of two thiophene-based cyclic molecules have been investigated. These molecules represent nanometer sized cavities which may be useful for novel photonic devices. By virtue of long-range interactions, these chromophores serve as novel architectures for

Aquasonolysis of thiophene and its derivatives.

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The rate constants and products of the aquasonolysis of thiophene, tetrahydrothiophene, 2-methylthiophene, 2,5-dimethylthiophene, and 2-ethylthiophene have been investigated. The sonolysis of the selected compounds in aqueous solution follows pseudo-first-order kinetics. The aquasonolytical rate

A C Symmetric Nitrate Complex with a Thiophene-Based Tripodal Receptor.

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A thiophene-based tripodal receptor has been synthesized and its complexes with nitrate and iodide have determined by single-crystal X-ray analysis. In the nitrate complex, one nitrate is encapsulated in a selective orientation forming a C(3) symmetric complex, which is bonded to three protonated

Giant macrocycles composed of thiophene, acetylene, and ethylene building blocks.

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Fully conjugated giant macrocyclic oligothiophenes with 60pi, 90pi,120pi, 150pi, and 180pi frames (1, 2, 3, 4 and 5) have been designed, and their butyl-substituted derivatives (1a, 2a, 3a, 4a, and 5a) have been synthesized using modified Sonogashira and McMurry coupling reactions as key steps. The

An ab initio investigation of the Buckingham birefringence of furan, thiophene, and selenophene in cyclohexane solution.

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Using a recently developed quadratic response methodology for the calculation of frequency-dependent third-order properties of molecules in solution, we investigate the Buckingham birefringence of furan, thiophene, and selenophene in cyclohexane solution. These systems are chosen since accurate

Parameterization of the torsional potential for calix[4]arene-substituted poly(thiophene)s.

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Three different strategies have been followed to develop the torsional force-field parameters of the inter-ring dihedral angles for calix[4]arene-substituted poly(thiophene)s, a family of highly sensitive ion receptors. These procedures, which are based on the rotational profiles calculated using

Phosphate binding with a thiophene-based azamacrocycle in water.

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Structural characterization of the phosphate complex with a thiophene-based macrocycle suggests that two dihydrogen phosphates in a dimeric form are encapsulated in the cavity via several hydrogen bonds from NH···O and CH···O interactions. In the lattice framework, the two dimers are linearly

Encapsulation of anticancer drug doxorubicin inside dendritic macromolecular cavities: First-principles benchmarks.

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By using first-principles approaches based on Density Functional Theory, we explore the possibility of using dendritic macromolecular structures as carriers of the doxorubicin anticancer drug. In particular, we consider macromolecular cavities of different sizes composed of phenylene-, thiophene-,

Cooperative NH⋯O and CH⋯O interactions for sulfate encapsulation in a thiophene-based macrocycle.

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A thiophene-based macrocycle containing four secondary and two tertiary amines has been synthesized and its binding affinity has been investigated toward sulfate anion in solution and solid states. Structural analysis of the sulfate salt suggests that the ligand in its hexaprotonated form, is

Stabilization of gold nanowires inside nanoaggregates of cyclo[8]thiophene, cyclo[8]selenophene, and cyclo[8]tellurophene: a theoretical study.

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The stabilities and electronic properties of gold clusters containing up to six atoms trapped inside cyclo[8]thiophene (CS8), cyclo[8]selenophene (CSe8), and cyclo[8]tellurophene (CTe8) nanoaggregates have been studied using the M06 functional. The 6-31G(d) basis set was used for all atoms except Au

Inherently chiral macrocyclic oligothiophenes: easily accessible electrosensitive cavities with outstanding enantioselection performances.

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Linear conjugated oligothiophenes of variable length and different substitution pattern are ubiquitous in technologically advanced optoelectronic devices, though limitations in application derive from insolubility, scarce processability and chain-end effects. This study describes an easy access to

Low-oxidation-potential thiophene-carbazole monomers for electro-oxidative molecular imprinting: Selective chemosensing of aripiprazole

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New thiophene-carbazole functional and cross-linking monomers electropolymerizing at potentials sufficiently low for molecular imprinting of an electroactive aripiprazole antipsychotic drug were herein designed and synthesized. Numerous conducting molecularly imprinted polymer (MIP) films are

Synthesis of helical π-conjugated polymers bearing pyridine N-oxide pendants and asymmetric allylation of aldehydes in the helical cavity.

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Catalytically active chiral π-conjugated polymers (poly-1(NO)r) bearing pyridine N-oxide pendants were synthesized by ternary copolymerization of a d-glucose-bound diethynyl compound with two types of thieno[3,4-b]thiophene comonomer, one of which contained a pyridine N-oxide group. When the

Alphabet soup within a porphyrinoid cavity: synthesis of heterocarbaporphyrins with CNNO, CNOO, CNSO and CNSeO Cores from an oxacarbatripyrrin.

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The first examples of porphyrin analogues with four different core atoms have been synthesized from an oxacarbatripyrrin intermediate. Acid-catalyzed condensation of the tripyrrin analogue with pyrrole or furan dialdehydes gave 22-oxa- and 22,23-dioxacarbaporphyrins, while reactions with furan,

Selective photoinduced energy transfer from a thiophene rotaxane to acceptor.

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An energy transfer process was investigated using cyclodextrin-oligothiophene rotaxanes (2T-[2]rotaxane). The excited energy of 2T-[2]rotaxane is transferred to the sexithiophene derivative which is included in the cavity of β-CD stoppers of 2T-[2]rotaxane.

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