BEGIN:VCALENDAR
VERSION:2.0
PRODID:-//Talks.cam//talks.cam.ac.uk//
X-WR-CALNAME:Talks.cam
BEGIN:VEVENT
SUMMARY:Spin-Vibronic Dynamics in Organic Electronics: From Simulations to
  Molecular Design using Dynamo-phores. - Dr Thomas Penfold\, Newcastle Uni
 versity
DTSTART:20190212T141500Z
DTEND:20190212T151500Z
UID:TALK114634@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:Organic molecules are ubiquitous and an integral part of daily
  life\, forming the building blocks of every living species to emerging te
 chnologies such as organic electronics. However\, in terms of harnessing t
 heir full potential\, one of the biggest challenges is that they can also 
 be made with infinite variety. Consequently\, to further advance molecular
  design\, establishing the link between the magnitude of chemical space (i
 .e. the number of possible molecular designs) and the functional propertie
 s of molecules is one of the most important and challenging aspects. This 
 challenge is compounded in the case of materials seeking to exploit electr
 onically excited states due to the breakdown of the Born-Oppenheimer appro
 ximation.     \nHerein I will present some of our recent results on spin-v
 ibronic dynamics in the context of enhancing the communication between sin
 glet and triplet states in organic electronics. I will show that intersyst
 em crossing in many functional organic molecules is dynamic\, in the sense
  that it depends on specific molecular vibrations [1-7]. I will extend thi
 s to a series of transition metal complexes exhibiting similar properties 
 [8] and finally introduce the concept of a dynamo-phore\, which can potent
 ially be used to aid the design of high performing functional molecules.\n
 \n1. TJ Penfold\, et al. Chem. Rev. 118:6975 (2018).\n2. J Gibson\, et al.
  ChemPhysChem\, 17:2956  (2016).\n3. Marc K Etherington et al. Nat. Comm. 
 7\,13680 2016.\n4. J Gibson et al. Phys. Chem. Chem. Phys.\, 19:8428 (2017
 ).\n5. F.B. Dias et al. Methods Appl Fluoresc\, 5:012001 (2017).\n6. M.K E
 therington\, et al. Nat. Comm.\, 8:14987 (2017).\n7. T.J. Penfold\, et al.
  Chem. Comm.\, 54:3926\, (2018).\n8. S. Thompson et al. J. Chem. Phys. 149
 :014304 (2018)\n          
LOCATION:Department of Chemistry\, Cambridge\, Todd Hamied Room
END:VEVENT
END:VCALENDAR