Category: Miquel Costas news

Purification of Sc-metallofullerenes by a supramolecular nanocapsule

A self-assembled Cu(II)-based nanocapsule enables efficient and straightforward isolation of Sc3N@C80 from arc-processed raw soot. The newly designed Cu(II)-based supramolecular nanocapsule 5·(OTf)8 was used to effectively entrap fullerenes and endohedral metallofullerenes (EMFs) with different affinities depending on their size and shape. Moreover, we took advantage of the sharply different entrapment abilities of the 5·(OTf)8 cage

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Photodissociation of Iron(IV)-Oxo Complexes: The evasive Fe=O stretch

We demonstrate the application of infrared photodissocation spectroscopy for determination of the Fe=O stretching frequencies of high-valent iron(IV)-oxo complexes [(L)Fe(O)(X)]2+/+ (L = TMC, N4Py, PyTACN, and X = CH3CN, CF3SO3, ClO4, CF3COO, NO3, N3). We show that the values determined by resonance Raman spectroscopy in acetonitrile solutions are on average 9 cm-1 red-shifted with respect

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Congratulations to all (previous) members of IQCC

At the beginning of August, the Nature Publishing Group sent out a mail titled “Is your institution a Rising Star?” to all people with an user account at NPG. Interestingly enough, at place 84 of the Nature Index 2016 Rising Stars we find the University of Girona (UdG), as only representative of Spain. The Nature

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Second edition of Science Slam IQCC, November 24, 12.00h

In 2015, the IQCC organized for the first time the Science Slam, which took place within the general context of the Setmana de la Ciència and was dedicated to Prof. Ramon Carbó-Dorca on the occasion of his 75th birthday. Next week on November 24 the IQCC organizes the second edition to show the most representative

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Summary of Girona Seminar on Predictive Catalysis

Introduction Since 1993 the Institut de Química Computacional i Catàlisi (IQCC) has been organizing the biannual series of conferences called the Girona Seminars. The early editions (until 2003) were focused on molecular similarity (main organizer Prof. Ramon Carbó-Dorca), which changed in 2006 when every new edition a different topic was chosen (main organizer Prof. Miquel

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Two European research projects (ERC-PoC)

Recently researchers of the IQCC and research group QBIS-Cat of the University of Girona have been successful with the ERC Proof of Concept program. This program is directly related to their ERC Starting Grant projects and tries to prepare the results obtained in these to bring them to market. In the case of the “Copper

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First Science Slam IQCC within Science Week

The Institute of Computational Chemistry and Catalysis of the University of Girona organizes the 1st Science Slam to show the most representative research projects of the Institute to a wide audience. A Science Slam is a form of science communication where scientists present their own scientific research work in a short time – 3 minutes each – in front of a non-expert

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Wiley book edited by members of the IQCC

This week a new book on “Spin states in Biochemistry and Inorganic Chemistry: Influence on Structure and Reactivity” has been published. The book is a recollection of a number of contributions from frontline eminent researchers from all over the world, and is the first textbook that deals entirely with spin states. The book has been

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Former IQCC member awarded for best PhD thesis 2013

This October, our former member of IQCC Irene Prat was awarded the Premi Extraordinari for the best PhD thesis in 2017 from the University of Girona. Last year, she defended with success her PhD thesis on “Bioinspired non-heme iron catalysts for challenging oxidative transformations: mechanistic studies and catalytic applications on selective alkane hydroxylation and alkene cis-dihydroxilation”, supervised by

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