نتایج جستجو برای: b80 fullerene
تعداد نتایج: 4783 فیلتر نتایج به سال:
Twelve chiral and achiral self-assembling dendrons have been grafted onto a [60]fullerene hexa-adduct core by copper-catalyzed alkyne azide "click" cycloaddition. The structure adopted by these compounds was determined by the self-assembling peripheral dendrons. These twelve dendrons mediate the self-organisation of the dendronized [60]fullerene into a disc-shaped structure containing the [60]f...
Density Functional Theory has been used to model the Diels-Alder reactions of the fullerene fragments triindenetriphenilene and pentacyclopentacorannulene with ethylene and 1,3-butadiene. The purpose is to prove the feasibility of using Diels-Alder cycloaddition reactions to grow fullerene fragments step by step, and to dimerize fullerene fragments, as a way to obtain C₆₀. The dienophile charac...
MALDI LIFT-TOF/TOF mass spectra of fullerene C60 and six of its derivatives, methano[60]fullerene carboxylic acid, its ethyl ester, diethyl methano[60]fullerene dicarboxylate, and three isomeric tetraethyl bis-methano[60]fullerene tetracarboxylates (compounds I–VII, respectively) as model analytes were recorded and discussed. This technique used in mass spectrometry for the first time is propos...
Fullerene (C(60)), the third carbon allotrope, is a classical engineered material with the potential application in biomedicine. However, extremely high hydrophobicity of fullerene hampers its direct biomedical evaluation and application. In this work, we investigated the solubilization of fullerene using 9 different solubility enhancers: Tween 20, Tween 60, Tween 80, Triton X-100, PVP, polyoxy...
محاسبات تئوری تابعیت چگالی با استفاده از روشهای b3lyp و m06 و مجموعه پایه های 6-31g* ، 6-311++g** و lanl2dz به منظور بررسی نحوه جذب برخی مولکولهای قطبی و غیرقطبی بر روی مجموعه ای از کمپلکس های b79x شامل x=b, al, ga, n, f ، برخی ایزومرهای b80 و نانوساختار b12n12 انجام گرفته است. برای به دست آوردن یک دید جامع و توام با جزئیات در ارتباط با خصوصیات برهمکنش ها، پارامترهای ساختاری و الکترونی سامانه ب...
A fullerene graph F is a cubic 3-connected plane graph with exact 12 pentagons and other hexagons. Let M be a perfect matching of F . A cycle C of F is M -alternating if and only if the edges of C appear alternately in and off M . A set H of disjoint hexagons of F is called a resonant pattern if F has a perfect matching M such that all hexagons in H are M -alternating. A fullerene graph F is k-...
Nanotechnology offers many societal benefits and this have prompted the rapid growth of engineered nanomaterials. Fullerene (C60) due to its unique properties has become an important nanomaterial in biomedical and biotechnological applications. Once in water, Fullerene forms stable suspended aggregates and thus become bioavalable to aquatic biota. The fate and transport of fullerene in the aqua...
in this study, the drug atenolol on c60 fullerene were the drug and its derivatives were optimized fullerene. nbo and nmr for complex computations required in the hf/6-31g (d) and b3lyp/6-31g (d) quantum chemistry method was used. mechanical quantum calculations in theory level of b3lyp/6-31g were performed on structure of atenolol and nano fullerene atenolol with different positions of linking...
Triazoliumfullerene was first prepared by the [3+2] cycloaddition of in situ generated 1,3-diaza-2-azoniaallene with fullerene and was characterized by the dispersed positive charge over the fullerene sphere associated with periconjugation. This new type of amphiphilic fullerene tended to form vesicles and crystalline aggregates after the casting of THF or MeOH solutions.
A novel Ag(I)-induced three-component annulation reaction of [60]fullerene with sulfonylhydrazones and nitriles has been developed for the efficient synthesis of diverse disubstituted [60]fullerene-fused dihydropyrroles. The reaction exhibits a broad substrate scope and excellent functional-group tolerance, and also allows for the synthesis of fullerene-bound macromolecules.
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