نتایج جستجو برای: electronic rearrangement

تعداد نتایج: 252431  

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه یاسوج - دانشکده علوم پایه 1392

در این پژوهش چهار مولکول به کار رفته در سلول های خورشیدی پلیمری انتخاب شدند و به منظور به دست آوردن دانش از بازآرایی الکترونی در پاسخ چگالی الکترونی به اعمال میدان الکتریکی در سلول های خورشیدی پلیمری، میدان الکتریکی خارجی به آن ها اعمال شد. ابتدا به صورت تئوری و به کمک نظریه ی تابعیت چگالی و با روش b3lyp و با مجموعه ی پایه ی **g311++-6 بهینه شدند و سپس اعمال میدان در سه جهت فضایی و با مقادیر مخ...

2012
Izumi Iwakura Atsushi Yabushita Jun Liu Kotaro Okamura Takayoshi Kobayashi

Allyl phenyl ether has an absorption band in the ultraviolet region (l o 400 nm); therefore, irradiation with few-optical-cycle ultraviolet pulses (l = 360–440 nm) causes a transition to the ultraviolet band, which leads to an electronic state and a photo-Claisen rearrangement (radical reaction) in the electronic excited state. However, the reaction scheme of allyl phenyl ether under irradiatio...

Journal: :Physical chemistry chemical physics : PCCP 2012
Izumi Iwakura Atsushi Yabushita Jun Liu Kotaro Okamura Takayoshi Kobayashi

Allyl phenyl ether has an absorption band in the ultraviolet region (λ < 400 nm); therefore, irradiation with few-optical-cycle ultraviolet pulses (λ = 360-440 nm) causes a transition to the ultraviolet band, which leads to an electronic state and a photo-Claisen rearrangement (radical reaction) in the electronic excited state. However, the reaction scheme of allyl phenyl ether under irradiatio...

Journal: :journal of physical & theoretical chemistry 2009
s. r. emamian m. r. zardoost k. zare e. zahedi h. aghaie

in order to find the susceptibility of the claisen rearrangement and next proton shift reaction of ally) aryl etherto the substiment effects in pan position, the kinetic and the:rmodynamie parameters are calculated at the33 ltp level using 6-3110. b asis set. the calculated activation energies for the rearrangements and protonshift reactions are around 3133 kcaumol and 52.16 kcal/mol, nap.. liv...

Journal: :journal of physical & theoretical chemistry 2005
saeed taghvaei-ganjali hassan kabiri-fard

thermal rearrangement of 7,7-dichloro-[a,c]-dibenzo-[4,1,0]-bicycloheptane (1) to 5,6-dichloro-5hdibenzo-[a,c]-cycloheptene (2) was studied in the solid phase and in solvents with different polarities. thefirst-order constants at various temperatures for the rearrangement process were evaluated from theabsorption time data. the activation parameters for this rearrangement were obtained from the...

Journal: :Chemistry: A European Journal 2021

A comprehensive mechanistic investigation was conducted on the coupling reaction of aryl sulfoxides with phenols by using trifluoroacetic anhydride to yield biaryls. NMR experiments revealed that our previously proposed mechanism, which consists a cascade an interrupted Pummerer and rate-determining [3,3] sigmatropic rearrangement, is reasonable. The electronic effects substrates were also eval...

2016
Lena Albers Saskia Rathjen Judith Baumgartner Christoph Marschner Thomas Müller

The installation of structural complex oligosilanes from linear starting materials by Lewis acid induced skeletal rearrangement reactions was studied under stable ion conditions. The produced cations were fully characterized by multinuclear NMR spectroscopy at low temperature, and the reaction course was studied by substitution experiments. The results of density functional theory calculations ...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه پیام نور - دانشگاه پیام نور استان تهران - دانشکده مدیریت و اقتصاد 1391

abstract nowadays, industries cannot play a crucial role in national and international competitions. the tourism industry is no exception. tourism industry development as the most important economic sector and income generation is one of the key challenges of economic development in the world. therefore, countries were successful that take advantage of the capabilities of tourism sector using ...

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