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Версия для печати | Главная > Центр > Научные советы > Научный совет по катализу > ... > 2011 год > № 57

№ 57

 

 

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  • НАУЧНЫЙ СОВЕТ ПО КАТАЛИЗУ ОХНМ РАН
    Отчет о научно-организационной деятельности в 2010 году
  • Открытие Международного года химии в Москве
  • А.С. Носков
    "ХИМРЕАКТОР" на Дунае
  • Новые журналы в области химии
  • За рубежом
  • Приглашения на конференции



Отчет о научно-организационной деятельности в 2010 году

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Институт катализа им. Г.К. Борескова СО РАН

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Институт нефтехимии и катализа РАН

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Институт нефтехимического синтеза им. А.В. Топчиева РАН

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Институт общей и неорганической химии им. Н.С. Курнакова РАН

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Институт органического синтеза им. И.Я. Постовского

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Институт органической химии Уфимского научного центра РАН

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Институт проблем переработки углеводородов СО РАН

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Институт проблем химической физики РАН

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Институт физической химии и электрохимии им. А.Н. Фрумкина РАН

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Институт химии нефти СО РАН

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Институт химии и химической технологии СО РАН

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Институт химической физики им. Н.Н. Семенова РАН

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Иркутский институт химии им. А.Е. Фаворского

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Московский государственный университет им. М.В. Ломоносова

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Национальный исследовательский Томский политехнический университет

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ОАО Научно-исследовательский институт «Ярсинтез»

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ООО «НИАП-КАТАЛИЗАТОР»

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Российский государственный университет нефти и газа им. И.М. Губкина

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Санкт-Петербургский филиал Института катализа им. Г.К. Борескова СО РАН

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Открытие Международного года химии в Москве

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"ХИМРЕАКТОР” на Дунае

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Новые журналы в области химии

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За рубежом

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MILLIONS OF ZEOLITE MATERIALS COMPUTED

Porous crystalline aluminosilicates known as zeolites are used in various applications for their catalytic, sorption, and ion-exchange properties. Nearly 200 distinct zeolite structures have been synthesized, and the target list got a whole lot larger: a computational team led by Michael W. Deem of Rice University has now calculated the structures of 2.7 million more seolite-like materials, at least 300,000 of which should be thermodynamically accessible as aluminosilicate compounds (J. Phys. Chem. C, DOI: 10.1021/jp906984z). In addition to the structures, Deem and colleagues calculated properties such as energy and density distributions, stability compared with quartz, dielectric constants, and X-ray diffraction patterns. The results are available in a publicly accessible database so researchers can either identify unknown zeolite products or search for targets with desired properties. All of the known zeolites have a relatively low density compared with the full range of calculated materials, Deem notes, adding that the computed structures offer new possibilities ranging from ultra-low density materials to high-density materials for nontraditional applications, such as corrosion-resistant coatings.


This computed zeolite structure has pores surrounded by rings of 24 silicon atoms, creating possible storage areas for macromolecules

WWW.CEN-ONLINE.ORG
OCTOBER 26, 20009

KEY METAL-METHANE COMPLEX OBSERVED

A transition-metal-methane complex believed to mimic a key intermediate in the conversion of natural gas into liquid fuels has finally been observed (Science 2009, 326, 553). In the species, the electrons of a C–H bond serve as a donor ligand to the metal, an arrangement called a σ complex. Such σ complexes are well-known for H2 and likely occur as intermediates in hydrogenation and hydrogenolysis reactions but have not been documented for methane in solution. A research team led by Maurice Brookhart of the university of North Carolina, Chapel Hill, protonated a Rh–CH3 complex to yield a stable Rh–CH species. They characterized the complex by nuclear magnetic resonance spectroscopy and found a sharp resonance for the methane and protons, indicating that they are in very rapid exchange. The species is isoelectronic with a Pt(II) σ-methane complex that is believed to be an intermediate in Pt(II)-mediated methane oxidation reactions. The σ-methane complex “furnishes details about the weak interaction of methane with a transition-metal center before C–H bond scission,” the authors write.

WWW.CEN-ONLINE.ORG
OCTOBER 26, 20009

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