J. Oscar C. Jiménez-Halla

Prof. Dr. J. Oscar C. Jiménez-Halla

Department of Chemistry, Universidad de Guanajuato, Guanajuato 36000, Mexico
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Research Focus & Metrics

Academic Career Length

21Years (2006-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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28 July 2010 in Angewandte Chemie International Edition
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JJJ. Oscar C. Jiménez-Halla
J. Oscar C. Jiménez-Halla
RIRafael Islas
Rafael Islas
THThomas Heine
Thomas Heine
GMGabriel Merino
Gabriel Merino

13 October 2013 in Nature Chemistry
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Journal Article
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HBHolger Braunschweig
Holger Braunschweig
TDTheresa Dellermann
Theresa Dellermann
RDRian D. Dewhurst
Rian D. Dewhurst
WEWilliam C. Ewing
William C. Ewing
KHKai Hammond
Kai Hammond
AVAlfredo Vargas
Alfredo Vargas

1 October 2006 in Journal of Organometallic Chemistry
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Journal Article
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JJJ. Oscar C. Jiménez-Halla
J. Oscar C. Jiménez-Halla
EMEduard Matito
Eduard Matito
JRJuvencio Robles
Juvencio Robles
Miquel SolaMiquel Sola
Miquel Sola

14 February 2012 in Angewandte Chemie International Edition
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HBHolger Braunschweig
Holger Braunschweig
VDVladimir Dyakonov
Vladimir Dyakonov
JJJ. Oscar C. Jiménez-Halla
J. Oscar C. Jiménez-Halla
KKKatharina Kraft
Katharina Kraft
IKIvo Krummenacher
Ivo Krummenacher
JWJohannes Wahler
Johannes Wahler

14 June 2010 in Symmetry
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Miquel SolaMiquel Sola
Miquel Sola
FFFerran Feixas
Ferran Feixas
JJJ. Oscar C. Jiménez-Halla
J. Oscar C. Jiménez-Halla
EMEduard Matito
Eduard Matito
Jordi PoaterJordi Poater
Jordi Poater
The lack of reference aromatic systems in the realm of inorganic aromatic compounds makes the evaluation of aromaticity in all-metal and semimetal clusters a difficult task. To date, calculation of nucleus-independent chemical shifts (NICS) has been the most widely used method to discuss aromaticity in these systems. In the first part of this work, we briefly review our previous studies, showing some pitfalls of the NICS indicator of aromaticity in organic molecules. Then, we refer to our study on the performance of some aromaticity indices in a series of 15 aromaticity tests, which can be used to analyze the advantages and drawbacks of aromaticity descriptors. It is shown that indices based on the study of electron delocalization are the most accurate among those analyzed in the series of proposed tests, while NICS(1)zz and NICS(0)πzz present the best behavior among NICS indices. In the second part, we discuss the use of NICS and electronic multicenter indices (MCI) in inorganic clusters. In particular, we evaluate the aromaticity of two series of all-metal and semimetal clusters with predictable aromaticity trends by means of NICS and MCI. Results show that the expected trends are generally better reproduced by MCI than NICS. It is concluded that NICS(0)π and NICS(0)πzz are the kind of NICS that perform the best among the different NICS indices analyzed for the studied series of inorganic compounds.

1 October 2015 in Angewandte Chemie International Edition
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JBJulian Böhnke
Julian Böhnke
HBHolger Braunschweig
Holger Braunschweig
TDTheresa Dellermann
Theresa Dellermann
WEWilliam C. Ewing
William C. Ewing
KHKai Hammond
Kai Hammond
JMJan Mies
Jan Mies