SCSCT

Solid State Chameleons: Chemical Transformations as Single Crystal Transitions

 Coordinatore UNIVERSITY OF DURHAM 

 Organization address address: STOCKTON ROAD THE PALATINE CENTRE
city: DURHAM
postcode: DH1 3LE

contact info
Titolo: Ms.
Nome: Wendy
Cognome: Harle
Email: send email
Telefono: 441913000000

 Nazionalità Coordinatore United Kingdom [UK]
 Totale costo 209˙033 €
 EC contributo 209˙033 €
 Programma FP7-PEOPLE
Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013)
 Code Call FP7-PEOPLE-2011-IIF
 Funding Scheme MC-IIF
 Anno di inizio 2013
 Periodo (anno-mese-giorno) 2013-01-03   -   2015-01-02

 Partecipanti

# participant  country  role  EC contrib. [€] 
1    UNIVERSITY OF DURHAM

 Organization address address: STOCKTON ROAD THE PALATINE CENTRE
city: DURHAM
postcode: DH1 3LE

contact info
Titolo: Ms.
Nome: Wendy
Cognome: Harle
Email: send email
Telefono: 441913000000

UK (DURHAM) coordinator 209˙033.40

Mappa

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crystal    compounds    transformations    small    reactions    predicate    scsct    solid    structural    reaction    materials    crystalline    related    studied    single    characterization    molecule   

 Obiettivo del progetto (Objective)

'This project aims to identify and exploit the properties of crystalline molecular materials that lead to single crystal to single crystal transformations (SCSCT). Chemical reactions involving bond formation and breaking generally do not proceed as SCSCT because of the significant structural rearrangement involved in the process. There exists a small class of compounds for which this phenomenon is observed, however. The observation of a SCSCT implies a highly cooperative solid state transformation from one molecule to another and has fundamental ramifications for our understanding of crystal structure. Moreover the fact that a single crystal is produced allows easy characterization of the product by X-ray crystallography. This project will proceed in three stages:

1. Design and react:

This involve design, synthesis and characterization of compounds directed towards three goal reactions namely addition, substitution and condensation reactions. The Cambridge Structural Database (CSD) will be used to aid the design of target molecules for this reaction by carrying out searches for closely related crystal structures of chemically related compounds.

2. Modification:

Here, compounds identified as having successful single crystal to single crystal transformations (SCSCT) will be studied in more detail. Small structural modifications will be made to these compounds and their effects on the success of the SCSCT studied.

3. Mechanistic studies:

Insights will be gained by studying the nature of the SCSCT observed in 1 and 2. The exciting area of SCSCT will bring a new focus to solid state reactivity with the aim of developing a predicate similar to the topological postulate which is used frequently to determine the likely success of solid-state photochemical reactions, with a view to applying this to any molecule or reaction type and ultimately use this predicate to develop novel crystalline materials.'

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