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A Reinvestigation of the Fragmentation of 2-Carbena-1,3-dioxolane by CASSCF and CASPT2 Calculations
Park, Bong-Jin,Hrovat, David A.,Borden, Weston Thatcher Korean Chemical Society 2004 Bulletin of the Korean Chemical Society Vol.25 No.2
In agreement with the results of previous MP2 calculations by Sauers, B3LYP, CASSCF, and CASPT2 calculations on the parent 2-carbena-1,3-dioxolane show that it fragments to ethylene plus $CO_2$ by a concerted pathway with only a small energy barrier. Not only is fragmentation via stepwise C-O bond cleavage computed to be a much higher energy pathway, but the singlet diradical that would be an intermediate along such a reaction path is not even computed to be a local minimum on the potential energy surface.
Formation of Ground State Triplet Diradicals from Annulated Rosarin Derivatives by Triprotonation
Fukuzumi, Shunichi,Ohkubo, Kei,Ishida, Masatoshi,Preihs, Christian,Chen, Bo,Borden, Weston Thatcher,Kim, Dongho,Sessler, Jonathan L. American Chemical Society 2015 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY - Vol.137 No.31
<P>Annulated rosarins, β,β′-bridged hexaphyrin(1.0.1.0.1.0) derivatives <B>1</B>–<B>3</B>, are formally 24 π-electron antiaromatic species. At low temperature, rosarins <B>2</B> and <B>3</B> are readily triprotonated in the presence of trifluoroacetic acid in dichloromethane to produce ground state triplet diradicals, as inferred from electron paramagnetic resonance (EPR) spectral studies. From an analysis of the fine structure in the EPR spectrum of triprotonated rosarin <B>H</B><SUB><B>3</B></SUB><B>3</B><SUP><B>3+</B></SUP>, a distance of 3.6 Å between the two unpaired electrons was estimated. The temperature dependence of the singlet–triplet equilibrium was determined by means of an EPR titration. Support for these experimental findings came from calculations carried out at the (U)B3LYP/6-31G* level, which served to predict a very low-lying triplet state for the triprotonated form of a simplified model system <B>1</B>.</P><P><B>Graphic Abstract</B> <IMG SRC='http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/2015/jacsat.2015.137.issue-31/jacs.5b05309/production/images/medium/ja-2015-05309k_0008.gif'></P><P><A href='http://pubs.acs.org/doi/suppl/10.1021/ja5b05309'>ACS Electronic Supporting Info</A></P>
[화학]Radio frequency gas-jet boosted 글로우 방전 원자 방출 분광법을 이용한 전도성 및 비 전도성의 다층 두께 분석에 관한 연구
조원보(Won Bo Cho),이성훈(Seong Hun Lee),정종필(Jong Pil Jeong),최우창(Woo Chang Choi),스튜어드 보든(Stuart Borden),김규환(Kyu Whan Kim),김경미(Kyung Mi Kim),김효진(Hyo Jin Kim),정성욱(Seong Uk Jeong),이중주(Jung Ju Lee) 한국분석과학회 2002 분석과학 Vol.15 No.3
Isaac E. Kim Jr.,Daniel D. Kim,Juliana E. Kim,Elliott Rebello,David Chung,Parker Woolley,Daniel Lee,Brittany A. Borden,Aaron Wang,Douglas Villalta,Agatha Sutherland,Sebastian De Armas,Matthew Liu,Hann 한국의학교육학회 2022 Korean journal of medical education Vol.34 No.2
Purpose: Medical schools have faced various challenges in preparing their clinical students for the frontlines of a pandemic. This study investigated medical students’ satisfaction with their institutions during the coronavirus disease 2019 (COVID-19) pandemic with the intention of guiding educators in future public health crises. Methods: In this cross-sectional study surveying students in clinical rotations, the primary outcome was overall satisfaction regarding medical schools’ responses to the pandemic, and the four secondary outcomes were school communication, exposure to COVID-19, availability of personal protective equipment, and access to COVID-19 testing. Results: The survey was distributed to ten medical schools, of which 430 students responded for a response rate of 13.0%. While most students were satisfied (61.9%, n=266) with their schools’ response, more than one in five (21.9%, n=94) were dissatisfied. Among the four secondary outcomes, communication with students was most predictive of overall satisfaction. Conclusion: In future crises, schools can best improve student satisfaction by prioritizing timely communication.