CrystEngComm Blog

Noriaki Kubota and colleagues have modelled the effects of sensitivity and resolution of a nucleation detector on metastable zone width. 

The metastable zone width has been somewhat ambiguously defined as “the supercooling at which the first crystals or uncontrolled spontaneous crystallisation is detected when the solution temperature is lowered at a constant rate”. In order to pin down the specifics, a couple of groups have defined the metastable zone width as the supercooling that occurs when the number density of crystals reaches a fixed value – which in effect is determined by the sensitivity of the detection method.

To find out what effect the sensitivity and resolution of a detector has on metastable zone width readings, the team have employed analytical and numerical methods. A deeper understanding of this is neccesary to enable better control of crystallisation processes.

Download the article today to find out more…

Analytical and numerical study of detector sensitivity and resolution effects on metastable zone width
Noriaki Kubota, Masanori Kobari and Izumi Hirasawa
CrystEngComm, 2013, 15, 2091-2098
DOI: 10.1039/C2CE26968F, Paper

The Gamez group have analyzed halogen–π interactions by a statistical study of the occurrence and directionality of the interactions in the solid-state.  They used structures from the Cambridge Structural Database (CSD) in combination with an analytical procedure developed and used previously by the authors for other important interactions like lone pair–π and anion–π interactions. The results clearly demonstrate that halogen bonding to a phenyl ring are directional, and could compete with hydrogen bonding. Read more about competition and directionality in the solid state for FREE at:

Halogen-phenyl supramolecular interactions in the solid state: hydrogen versus halogen bonding and directionality
Tiddo J. Mooibroek and Patrick Gamez
CrystEngComm, 2013, 15, 1802-1805
DOI: 10.1039/C2CE26853A 

Other related reading from the same group includes:

Anion–arene and lone pair–arene interactions are directional
Tiddo J. Mooibroek and Patrick Gamez
CrystEngComm, 2012, 14, 1027-1030
DOI: 10.1039/C1CE05946G

How directional are D–H phenyl interactions in the solid state (D = C, N, O)?
Tiddo J. Mooibroek and Patrick Gamez
CrystEngComm, 2012, 14, 8462-8467
DOI: 10.1039/C2CE26205C

You may also be interested in: 

Competing hydrogen-bond and halogen-bond donors in crystal engineering
Christer B. Aakeröy,  Sheelu Panikkattu,  Prashant D. Chopade and John Desper
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C2CE26747K 

or also on our blog 

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Using linear, rather than cyclic, anhydrides was key to synthesising the carboxylic acid functionalised hybrid polyoxometalates

Leroy Cronin and colleagues at the University of Glasgow report a high yield synthesis of carboxylic acid functionalised clusters by reacting Mn-Anderson hybrid polyoxometalates, substituted by an amine group, with anhydride precursors. The terminal acid groups make it possible for the clusters to bind to hydrophilic glass surfaces. Developing understanding of the surface interactions of these hybrids may have potential implications in the development of hybrid based thin films for solar cells.

Download the paper today to find out more…

Programming the assembly of carboxylic acid-functionalised hybrid polyoxometalates
Marie Hutin, Carine Yvon, Jun Yan, Andrew Macdonell, De-Liang Long and Leroy Cronin
CrystEngComm, 2013
DOI: 10.1039/C3CE26816K, Paper

You may also be interested in the 2012 Dalton Transactions Polyoxometalates themed issue, that was guest edited by De-Liang Long and Leroy Cronin.