Ionization Potentials of Some Organic Molecules. III. Aromatic and Conjugated Compounds
نویسندگان
چکیده
منابع مشابه
Formation of highly oxygenated organic molecules from aromatic compounds
Anthropogenic volatile organic compounds (AVOC) often dominate the urban atmosphere and consist to a large degree of aromatic hydrocarbons (ArHC), such as benzene, toluene, xylenes, and trimethylbenzenes, e.g. from handling and combustion of fuels. These compounds are important precursors for the formation of secondary organic aerosol. Here we show that oxidation of aromatics with OH leads to a...
متن کاملsynthesis of 3-aryl-2h-benzo[b]-1,4-oxazines in [omim]bf4 and reduction of organic compounds in methylimidazolium formate
در این پروژه ترکیبات 3-آریل-2h-بنزو[b]-4،1-اکسازین ها از مواد اولیه تجاری مشتقات دو آمینو فنول و ?-هالو کتون های آروماتیک در مایع یونی 1-اکتیل-3-متیل ایمیدازولیوم تترا فلورو بورات([omim]bf4) سنتز شده است. این واکنش توسط باز پتاسیم کربنات محلول از طریق o-آلکیلاسیون و سپس یک واکنش آمیداسیون درون مولکولی خود بخود در مدت زمان کوتاه انجام می شود. ترکیبات 4،1-بنزوکسازین به این روش با بهره خوب تا آلی ...
15 صفحه اولAccurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods.
The performance of different GW methods is assessed for a set of 24 organic acceptors. Errors are evaluated with respect to coupled cluster singles, doubles, and perturbative triples [CCSD(T)] reference data for the vertical ionization potentials (IPs) and electron affinities (EAs), extrapolated to the complete basis set limit. Additional comparisons are made to experimental data, where availab...
متن کاملInteractive comment on “ Formation of highly oxygenated organic molecules from aromatic compounds ” by Ugo Molteni
should contain the major details of the work described in the manuscript, i.e., what was studied with what methods and what were the main results, and Conclusions should contain summary of the results and their significance. At the moment they do not do this. More precisely, currently Abstract is missing many of these details and Conclusions feels more like an extension of Discussion. I suggest...
متن کاملInteractive comment on “ Formation of highly oxygenated organic molecules from aromatic compounds ” by
The authors describe experimental findings from a flow-tube study on HOM formation from the reaction of OH radicals with a series of aromatic compounds. OH radicals were generated by water VUV photolysis at 172 nm. The OH+aromatic reaction carried out in a flow system was separated from the OH radical production. Nitrate CIMS was chosen for HOM detection. OH radical concentrations in the system...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Bulletin of the Chemical Society of Japan
سال: 1956
ISSN: 0009-2673,1348-0634
DOI: 10.1246/bcsj.29.521