Mechanistic processes in organometallic chemistry Faraday Discussion

2 - 4 September 2019, York, United Kingdom


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Introduction

Welcome

Join us in York in September 2019 for this addition to our Faraday Discussion series. For over 100 years and 300 meetings, Faraday Discussions have been the forefront of physical chemistry. Many of these Discussions have become landmark meetings in their field.
 
We invite you to join us to discuss the topic of mechanistic processes in organometallic chemistry and make your contribution to this cutting-edge dialogue alongside leaders in this field.
 
This meeting is for established scientists, post-graduate students and industrial researchers interested in mechanistic studies coupled with novel experimental and computational methods. Given the substantial current interest in catalysis for synthetic chemistry and the need for mechanistic insights in the field, the unique format of the Faraday Discussions will allow for in-depth discussions and opportunities to establish new collaborations.
 
On behalf of our committee, we look forward to welcoming you to York.

John Slattery and Jason Lynam
Co-chairs
 

Attendance  

The RSC is keen to encourage and enable as many people as possible to attend our events, to benefit from the networking opportunities and the chance to hear talks from leaders in the field. If you have childcare, caring responsibilities or other care needs, and would like to attend this event, please do get in touch with us to see if there’s anything we can do to help enable you to attend.
 

Format

Faraday Discussions remain amongst the only conferences to distribute the speakers’ research papers in advance, allowing the majority of each meeting to be devoted to discussion in which all delegates can participate.  Following each meeting a written record of the discussion is published alongside the papers in the Faraday Discussions journal. 

Find out more about the Faraday Discussions in this video

Themes

This Faraday Discussion aims to bring together a range of leaders in the field of organometallic, physical and computational chemistry to discuss new mechanistic insights and methodologies for mechanistic studies.

The substantial current interest in catalysis for synthetic chemistry and the need for mechanistic insights in the field, aimed at providing a rational foundation for further developments, make this meeting both timely and important.

The Faraday Discussion will be organised into the following themes:

Physical methods for mechanistic understanding
This first session will focus on discussing novel and emerging physical approaches for developing mechanistic insight in organometallic chemistry and catalysis. This will involve new instrumentation (e.g. low-field NMR, in situ photochemistry with NMR) and new methodologies (e.g. kinetic analyses using the Reaction Progress Kinetic Analysis (RPKA) approach, new hyperpolarisation techniques, time-resolved NMR, Mössbauer and MCD spectroscopy of organometallics, mass spectrometric identification of reaction intermediates).

Understanding unusual element-element bond formation and activation
This second session will focus on new studies of the fundamental mechanistic processes underpinning the formation, or activation, of unusual element-element bonds. A particularly active area that will be covered will be C-F bond formation and activation, as insights into the physical processes at work here will play a key role in the development of new reactions for the formation of fluorinated molecules in pharmaceuticals, agrochemicals and materials chemistry.

Computational and theoretical approaches for mechanistic understanding
This third session will focus on novel computational studies and new methodological developments of relevance to understanding mechanism in organometallic chemistry. Quantum chemical studies play a key role in the field of mechanistic organometallic chemistry, as there is often a strong synergy between experimental and computational studies, with each providing complementary information. However there are significant challenges in accurately modelling “real-world” systems and computational methodologies in this area have been rapidly evolving in recent years.

Mechanistic insight into organic and industrial transformations
The final session will focus on developments in mechanistic understanding that underpin important applications of organometallic chemistry in organic synthesis and other areas, such as olefin oligomerisation. There have been rapid developments in recent years in the synthetic application of organometallic catalysts. However, fundamental mechanistic insights have frequently lagged behind synthetic developments in this area. This session will focus on work that has been done to uncover the physical processes behind important synthetic and industrial applications, as this understanding is important in allowing the rational design of more efficient, selective catalysts in the future.
 
Speakers
Robert Morris (Introductory Lecturer), University of Toronto, Canada

Dr. Robert Morris was born in Ottawa, Canada and received a BSc from the U. Waterloo and PhD from the U. British Columbia. After postdoctoral research at the Unit of Nitrogen Fixation at U. Sussex and at Pennsylvania State U., Dr. Morris started as an assistant professor at the U. Toronto in 1980.
 
His discoveries of the first iron-group dihydrogen compounds, hydridic-protonic bonding and the concept of ligand acidity constants led to a better understanding of a common reaction in catalysis, the heterolytic splitting of dihydrogen. Dr Morris and his group have shown that this is a key step in the proposed mechanism for the production of chemicals and pharmaceuticals catalyzed by ruthenium hydrogenation catalysts. The continued study, syntheses and mechanistic investigation of a variety of ligand structures on iron group elements led Dr. Morris and his team to the discovery of the first well defined catalysts based on iron for the asymmetric hydrogenation of ketones and imines.  GreenCentre Canada helped to commercialize these catalysts.
 
Dr. Morris has won the Canadian inorganic chemistry awards and the 2017 RSC Inorganic Mechanisms award and is a Fellow of the CIC and the Royal Society of Canada and a Killam Research Fellow (2015-2017).


Odile Eisenstein (Closing speaker), CNRS, Université de Montpellier, France
University of Oslo, Norway

Odile Eisenstein, currently “Directeur de Recherche Emerite” at the French National Centre for Scientific Research (CNRS) and adjunct-Professor at the University of Oslo, was born in 1949 in France. After a PhD with Nguyen Trong Anh and Lionel Salem at the University of Paris Sud-Orsay, she was post-doc with Jack Dunitz (ETH, Zurich) and with Roald Hoffmann (Cornell).  She started her independent carrier at Paris-Sud Orsay and she became the head the Laboratory of Theoretical Chemistry before moving to Montpellier in 1996 where she founded a group of theoretical chemistry. She has received numerous awards including the ACS Organometallic award and Frankland and Centenary lectureships and awards from the RSC.  She is a member of the French Academy of Science and a foreign member of the Norwegian Academy of Sciences and Letters and of the Academy of North-Rhine Westphalia. She is President of the International Academy of Quantum Molecular Science. Her interest in science is to decipher mechanisms using computational tools in close collaboration with experimental chemists. She recently got interested in constructing links between NMR, molecular orbital structure and reactivity in close collaboration with C Coperet (ETH, Zürich)


Thomas Braun, Humboldt-Universität zu Berlin, Germany

Thomas Braun studied chemistry at the Julius-Maximilians-Universität Würzburg and received his Ph.D. under the supervision of Helmut Werner. After postdoctoral work with Pierre Dixneuf (Rennes) and Robin Perutz (York), he obtained his habilitation with Peter Jutzi as mentor at University of Bielefeld. In 2007, he was appointed Professor of Inorganic Chemistry at the Humboldt-Universität zu Berlin. Thomas Braun received the Wöhler Award for Young Scientists in 2006 and the RSC Fluorine Chemistry Prize in 2007. From 2010-2012 he served as the chair of the GDCh Fluorine Chemistry division and was from 2009-2018 vice-chair of the DFG Research Training Group GRK 1582 “Fluorine as the Key Element”. From 2010-2012 he was head of department of the department of chemistry at the Humboldt-Universität. His major interests are in fluorine chemistry as well as organometallic and coordination chemistry with an emphasis on the catalytic activation of small molecules. Recently he also turned his attention to heterogeneous catalysis.


Meghan Halse, University of York, United Kingdom

Dr Meghan Halse received her Ph.D. in 2010 from Victoria University of Wellington in New Zealand. She did post-doctoral work at the Centre for very high field NMR (CRMN) at the CNRS in Lyon, France from 2010 to 2013 and at the Centre for Hyperpolarisation in Magnetic Resonance (CHyM) in York, UK from 2013. She was appointed to a Lecturership in Chemistry at the University of York in 2015.  Her research focuses on the development of novel NMR and MRI methods and applications with a particular interest in the use of hyperpolarisation to improve sensitivity and the development of low-field portable NMR devices with applications outside of the traditional laboratory environment.


Jeremy Harvey, KU Leuven, Belgium

Jeremy Harvey studied chemistry at the Université Catholique de Louvain in Belgium, with his PhD thesis, completed in 1995, focusing on experimental studies of reaction mechanisms in organosulfur chemistry. After postdoctoral periods in Berlin and Jerusalem, during which he switched to computational methods while retaining his interest in reaction mechanisms, he started his independent research career in Bristol in 1999, where he remained until moving to Katholieke Universiteit Leuven in 2014. His research focuses on using electronic structure theory methods as a basis for exploring reaction mechanisms and dynamics, and he has a particular interest in organometallic and inorganic chemistry.


Aiwen Lei, Wuhan University, China

Aiwen is full Professor and associate Dean of the Institute for Advanced Studies (IAS) of Wuhan University. His major research interests are Green Catalysis, and he tired two ways to approach the goal: (1) oxidative C-H/X-H Cross-coupling, (2) developing high efficient catalyst. Besides, he devoted to investigate mechanistic studies including kinetic and active intermediate by using in situ infrared (IR) and X-ray absorption spectroscopy (XAS). In 2000, he obtained his doctoral degree at the Shanghai Institute of Organic Chemistry under the supervision of Prof. Xiyan Lu and worked on the Pd(II)-catalyzed C-X bond formation. From 2000 to 2003, he worked as a Postdoctoral Fellow with Prof. Xumu Zhang at Pennsylvania State University. Afterwards, he shifted to focus on the bioionorganic chemistry with Prof. James P. Collman’s group in Stanford University during 2003-2005. He has published more than 300 articles with approximate to 17500 citations, the h-index is 73, and the highest single cited was approximate to 1300 times. Additionally, he has written books on the synthetic reactions in organic chemistry, the oxidative cross-coupling reaction and C-H bond activation.


Guy Lloyd-Jones, The University of Edinburgh, United Kingdom

Guy Lloyd-Jones FRS studied Chemical Technology at Huddersfield, obtained his doctorate with John Brown FRS, and did postdoctoral research with Andreas Pfaltz. He began his independent career in 1996 at the University of Bristol, building a research group specialising in stereochemistry, catalysis, kinetics, NMR and isotopic labelling. In 2013 he was elected to the fellowship of the Royal Society and took The Forbes Chair of Organic Chemistry at the University of Edinburgh. His research focuses on the mechanism and kinetics of synthetic processes and reactions, and more recently on the development of new stopped-flow methods for IR and NMR. His studies have assisted academia and industry in the logical design of reagents, catalysts and reaction conditions.    


Jennifer Love, The University of British Columbia, Canada

Prof. Jennifer Love began at UBC as an assistant professor in 2003, following her doctoral studies with Prof. Paul Wender at Stanford University and NIH-funded postdoctoral studies with Prof. Robert Grubbs at Caltech. She has won a number of awards, including the IntelliSyn Pharma award from the Canadian Society for Chemistry in 2018, an Alexander von Humboldt Research Fellowship for Experienced Researchers in 2012, the AstraZeneca Canada Award in Chemistry in 2008, the UBC Science Killam Teaching Award in 2009 and a CNC IUPAC travel award in 2011. She became a Fellow of the Royal Society of Chemistry (UK) in 2016. Her program is well-funded and internationally recognized. She has given over 100 invited presentations around the world. She has served as the vice-Chair, Chair and past-Chair of the Inorganic Division of the CSC. She is an Associate Editor for Catalysis Science & Technology and has served on both the editorial board and editorial advisory board of Dalton Transactions. She recently began as a Responsible Editor for Organic Reactions. Love’s program spans the traditional boundaries of organic and inorganic chemistry. Her group aims to develop fundamentally new, cost-effective and low-waste reactions for the synthesis of medicinally important compounds by exploring the mechanism of reactions at late transition metal centres.


Stuart Macgregor, Heriot-Watt University, United Kingdom

Stuart Macgregor is full Professor in the Institute of Chemical Sciences at Heriot-Watt University, Edinburgh. His research uses computational chemistry to model the structure and reactivity of transition metal systems, with a particular focus on C-H and C-F bond activation, s-alkane complexes and their applications in homogeneous catalysis and organometallic reactivity in the solid-state. His work is performed in close collaboration with a number of experimentalists.
Stuart received his PhD from the University of Edinburgh (1992) and was awarded a NATO Western European Fellowship to work with Odile Eisenstein at the Université de Paris-Sud in Orsay (1992-1994).  After two years at the Australian National University he returned to Edinburgh to take up a lectureship at Heriot-Watt University in 1997. He was promoted to full Professor in 2009 and acted as Head of the Institute of Chemical Sciences from 2010 to 2014.
Website: http://cic.eps.hw.ac.uk/
ORCiD: 0000-0003-3454-6776


Jana Roithová, Charles University, Czech Republic

Jana Roithová graduated in organic chemistry from Charles University in Prague in 1998. During her PhD studies she was working with Prof. Zdenek Herman in J. Heyrovsky Institute of Physical Chemistry on the topic of reaction dynamics. After obtaining the PhD title in 2003, she moved to the Technical University in Berlin and worked in the group of Prof. Helmut Schwarz. From 2005 she worked with Detlef Schröder at the Academy of Sciences of the Czech Republic. Her independent career started in 2007 at the Faculty of Science of the Charles University in Prague, where she raised through the ranks and finally held the position of a professor and the head of the department of organic chemistry. In 2018, she moved to Radboud University in Nijmegen, where she serves as a chair professor for spectroscopy and catalysis. She has obtained several prizes, e.g. Ignaz L Lieben Award from the Austrian Academy of Sciences, Heyrovsky-Ilkovic-Nernst Lecture from the German Chemical Society, or Rudolf Lukeš prize from the Czech Chemical Society. Jana Roithová is author of more than 170 papers in peer-reviewed scientific journals. In 2010 has received a Starting Grant and in 2015 a Consolidator Grant from European Research Council.


  • Ian Fairlamb (Highlights from the host institution) University of York, United Kingdom

Abstract Submission

Oral Abstracts and Research Papers

A full research paper containing new unpublished results always accompanies oral presentations at Faraday Discussions. Submit an oral/paper abstract by 19 November 2018 if you wish to be considered for an oral presentation and associated published paper. The oral/paper abstract should outline current research in progress. Authors of the selected abstracts must then submit a full research paper with a significant amount of new, unpublished work by 15 April 2019.

The research papers are reviewed upon submission and are sent to all delegates 4 weeks before the meeting so they can be read in advance. At the meeting the presenting author is allowed five minutes to highlight the main points of their paper, and the rest of the time is for discussion. The discussion is recorded and will be published alongside the research paper in the Faraday Discussion Volume. 

Poster Abstracts 

Submit your poster abstract by 24 June 2019. Posters are displayed throughout the meeting and a poster session is held on the first evening. The Faraday Division Poster Prize will be awarded to the best poster presented by a student at the conference.

Additional Information

Authors will be notified of the outcome of the review process within about 6 weeks of the submission deadline. The abstracts should be no longer than one A4 page in portrait layout. Please ensure you provide the details of the presenting author and indicate whether you are submitting an abstract for oral or poster presentation.
 
Registration
Please read the registration information before registering.
You can register by clicking on the online registration link on this page.
Please note accommodation is not included in the registration fee.

Registration includes:
  • Attendance at the sessions 
  • Refreshments throughout the meeting
  • Lunch on all three days
  • Attendance at the poster drinks reception on Monday 02 September 2019
  • Attendance at the conference dinner on Tuesday 03 September 2019
  • A copy of the discussion pre-prints
  • A copy of the final theme issue of Faraday Discussion Volume containing papers presented at the Discussion (issued approximately 6 months after the meeting)
  • **For non-member registrants, membership of the Royal Society of Chemistry until the end of 2019

Registration fees are as follows:
Early bird
(by 15 July 2019)
Standard
(by 05 August 2019)
Member* £355 £410
Non-member*** £460 £515
Student member* £170 £225
Student non-member*** £195 £250
Accompanying person £100 £100
Registration fees are VAT exempt.

  * If you are an Royal Society of Chemistry member and wish to register for this meeting, please select the member option on the online registration page. You will need to enter your membership number.
  **Excluding students, who can order the volume at a reduced price at the conference. 
 ***For non-member registrants, affiliate membership of the Royal Society of Chemistry until the end of 2019, the affiliate membership application will be processed and commence once the registrant has attended the event. 

Student Delegates

In order to encourage undergraduate or postgraduate students to attend the Discussion, a reduced conference fee (to include a set of pre-prints but not the final Discussion Volume) is available. This fee applies to those undertaking a full time course for a recognised degree or a diploma at a university or equivalent institution.

 A copy of the publication may be purchased at less than half price, only for orders placed at the meeting where an application form will be made available.  

Conference Dinner

The conference dinner on Tuesday 03 September 2019 and is included in the regsitration fee.

Accompanying person

If you would like to bring a guest to the conference, this can be done during the registration process. There will be a charge of £100 which will include all lunches, refreshments and the conference dinner but does not include attendance at any scientific sessions.

 
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Terms and Conditions for Events run by the Royal Society of Chemistry

Bursaries

RSC Inorganic Reaction Mechanisms Group bursaries:

The Royal Society of Chemistry's Inorganic Reaction Mechanisms Group are offering a limited number of travel bursaries of up to £100 to support attendance at the meeting. These are targetted at early career researchers and others with limited or no access to travel funding. If you wish to apply for a bursary, please send a short statement outlining your institution, career stage (and if appropriate, the research group in which you work), reason for requesting a bursary and an estimate of your total travel costs to events@rsc.org by the 5th August 2019. Please ensure the email subject is marked as 'TRAVEL BURSARY - Mechanistic processes in organometallic chemistry' . The meeting committee will consider all requests and inform applicants of decisions shortly after this.


Royal Society of Chemistry bursaries:

The deadline for Royal Society of Chemistry bursaries has passed. Please see above for information from RSC Inorganic Reaction Mechanisms Group bursaries which are still available until 5th August 2019.
We have two types of grants available to attend this meeting:
  • A limited number of non-competitive travel grants of up to £200 are available for PhD students and early career scientists. These are assigned on a first come, first served basis. Applicants must be Royal Society of Chemistry members of any level at the time of making their application.
  • Competitive grants of up to £800 are available to assist with international travel expenses for PhD students, postdocs within 10 years of completing their PhD and early career scientists (including technicians and industrialists) within 10 years of leaving full time education. In addition, applicants must be Royal Society of Chemistry members of any level at the time of making their application. 
Sponsorship & supporting organisations
A selection of sponsorship opportunities is available for companies who would like to promote their activities at the 2019 Faraday Discussion series.

There are opportunities available to become the Faraday Discussion series sponsor,  Research & Development partner or Poster prize series sponsor as well as some individual meeting options. A sponsorship menu document is available to download from this page with more details and prices.
Please note that exhibition spaces are limited, spaces will be allocated on a first come first served basis.

If you would like more information about sponsoring the 2018 Faraday Discussion series, please contact the Commercial Sales Department at the Royal Society of Chemistry on solutions@rsc.org
  Sponsorship Menu
Venue
National STEM Learning Centre

National STEM Learning Centre, University of York, Heslington, York, YO190 5DD, United Kingdom

Accommodation
There is a limited amount of accommodation that can be booked during the registration process. This is bed and breakfast accommodation for 2 nights at the cost of £96.00 (en suite/single occupancy room).  If you require additional nights please contact the Events Team.

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