Interview: Davide Proserpio talks to CrystEngComm

Davide Proserpio discusses topological crystal chemistry, amongst other things, with CrystEngComm

Professor Proserpio works in the field of applied theoretical chemistry at the Dipartimento di Chimica Strutturale e Stereochimica Inorganica in Milan, Italy.  He is a member of the CrystEngComm advisory board.

1) Why did you to become a scientist?

I was child with a very enquiring mind, always curious about the fact of nature and science.  So I decided to find some high school that could give me a good scientific background, and the only one available near my hometown was a technical school in chemistry… so I started chemistry at 14 and I never abandoned the field!

2) What projects are you working on at the moment?

Applications of what I call “topological crystal chemistry” to all possible crystal structures from the entanglements in coordination networks, to the analysis of the zeolites and intermetallics compounds in terms of nanoclusters, to the nets formed by halogen bonding.

3) What do you think will be the next big breakthrough in your field?

I dream of a computer expert system that will predict with a high probability the overall topology (including possible entanglements) for a coordination framework composed of a given set of building units.

4) How do you think crystal engineering will develop in the next five years?

The number of examples of planned synthesis of predicted architectures will increase, and there will be market application of MOFs.

5) What is the most rewarding aspect of your work?

To work in connection with people all around the world and from very different backgrounds, from crystallographers, to mathematician and physicists.  And being able to put them in connection to solve complex problems.

6) What is the secret to a successful research group?

Interdisciplinarity and an open mind.

7) What achievement are you most proud of?

Two computer programs:

CACAO (Computer Aided Composition of Atomic Orbitals) for Extended Huckel calculation on PC following the applied theoretical chemistry approach I learned from Carlo Mealli and Roald Hoffmann, and TOPOS, that is written and developed mostly by my friend Vladislav Blatov, but that I helped to extend to the field of topological crystal chemistry.

8 ) What advice would you give to a young scientist?

Don’t get too narrow minded in your field but look around for connections.

9) What would you do if you weren’t a scientist?

I never think in terms of “what if”, but my other interests are movies and cuisine… so probably a chef or a movie critic…
or both?

10) Can you tell us a little known fact about yourself?

I like to read modern comics, in particular graphic novels :  Will Eisner, Jiro Taniguchi, Art Spiegelman, Joe Sacco…

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Doubt cast on X-ray structure of trapped reactive species

A recent post on the ChemComm Blog is generating some interesting discussion.   The blog post outlines the claims of a ChemComm article by Henry Rzepa (Imperial College, London, UK), that casts some doubts over a recently published article in Science (Y.-M. Legrand, A. van der Lee, M. Barboiu, Science 2010, 329, 299-302). 

Why not join in the debate! Post your comments on the ChemComm blog  (https://blogs.rsc.org/cc/2010/12/23/doubt-cast-on-x-ray-structure-of-trapped-reactive-species/)

The ChemComm article(Henry S. Rzepa, Chem. Commun. 2011, Advance Article DOI: 10/1039/C0CC04023A) is free to access until 25th January 2011.

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Professor Song Gao – a new Associate Editor for CrystEngComm

I am delighted to announce that CrystEngComm has a new Associate Editor, Professor Song Gao from Peking University, China.

Song Gao is a Cheung Kong Professor, Dean of the College of Chemistry and Molecular Engineering at Peking University, Deputy Director of Beijing National Laboratory for Molecular Sciences and a member of the Chinese Academy of Sciences.

Song has been a member of the CrystEngComm Editorial Board for the last three years in his previous role as Regional Associate Editor for China. He will be delighted to receive your papers in his new role as Associate Editor. Submit a manuscript to Song.

 Song’s research interests are magnetic ordered coordination polymers, molecular nanomagnets, molecular and crystal engineering, and multifunctional molecular materials. You can find out more about Professor Gao and his research into the mysterious world of molecular magnetism on his website


To celebrate Song’s appointment we have made some of his recent CrystEngComm articles FREE to read until the 22nd December! Hurry, find out more about his latest research now:

M2(N3)4(hmt)(H2O) (M = Co2+ and Ni2+, hmt = hexamethylenetetramine): mixed azide-hmt bridged 3D metal frameworks with long-range magnetic ordering
Ru-Yin Li, Zhe-Ming Wang and Song Gao
CrystEngComm, 2009, 11, 2096-2101 DOI: 10.1039/B906694M, Paper 

Four 2D metal–organic networks incorporating Cd-cluster SUBs: hydrothermal synthesis, structures and photoluminescent properties
Shuangquan Zang, Yang Su, Yi-Zhi Li, Jianguo Lin, Xianying Duan, Qingjin Meng and Song Gao
CrystEngComm, 2009, 11, 122-129 DOI: 10.1039/B806899B, Paper

Transition metal coordination frameworks with bridges of 1,2-bis(4-pyridyl)ethane-N,N′-dioxide incorporating anions of different size
Hao-Ling Sun, Zhe-Ming Wang, Song Gao and Stuart R. Batten
CrystEngComm, 2008, 10, 1796-1802 DOI: 10.1039/B810245G, Paper

Three-dimensional metal–organic frameworks constructed from bix and 1,2,4-benzenetricarboxylate
Jing Yao, Zhen-Da Lu, Yi-Zhi Li, Jian-Guo Lin, Xian-Ying Duan, Song Gao, Qing-Jin Meng and Chang-Sheng Lu
CrystEngComm, 2008, 10, 1379-1383 DOI: 10.1039/B805263H, Paper

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HOT Article: Mapping the empty spaces in crystals

This latest paper from Mark A. Spackman‘s group, based at the University of Western Australia, explores the void space in crystal structures.

An appreciation of the empty spaces in crystalline materials is vital to our understanding of how these materials behave, and in this paper, these scientists do just that. They use a new computational modelling approach to map the voids in molecular solids. Their method can be applied to molecular crystals, organic, metal–organic and inorganic polymers, so that we can understand and improve their use in various applications from gas storage to catalysis and separation.

Read this CrystEngComm Hot article FOR FREE until January 20th.

Visualisation and characterisation of voids in crystalline materials
Michael J. Turner, Joshua J. McKinnon, Dylan Jayatilaka and Mark A. Spackman
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C0CE00683A, Paper

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CrystEngComm Cover Image: Issue 2 now published

In this fortnight’s issue of CrystEngComm the outside cover showcases work by O-Pil Kwon and colleagues at Ajou University, Suwon, Korea and collaborators at the Korea Advanced Institute of Science and Technology and the Nonlinear Optics Laboratory, Zurich, Switzerland . The image shows a N-benzyl stilbazolium nonlinear optical chromophore with a non-polar benzyl group achieving acentric molecular ordering in the crystalline state.

The inside cover was produced by Mathias Wagner and co-workers, and shows thermally induced crystal-to-crystal transformations accompanied by changes in the magnetic properties of a CuII-p-hydroquinonate polymer.

View the issue online here: CrystEngComm Issue 2, 2011

Outside cover article:

Acentric nonlinear optical N-benzyl stilbazolium crystals with high environmental stability and enhanced molecular nonlinearity in solid state
Pil-Joo Kim, Jae-Hyeok Jeong, Mojca Jazbinsek, Seong-Ji Kwon, Hoseop Yun, Jong-Taek Kim, Yoon Sup Lee, In-Hyung Baek, Fabian Rotermund, Peter Günter and O-Pil Kwon
CrystEngComm, 2011, 13, 444-451
DOI: 10.1039/C0CE00456A, Paper

Inside cover article:

Thermally induced crystal-to-crystal transformations accompanied by changes in the magnetic properties of a CuII-p-hydroquinonate polymer
Ngoc Hien Phan, Ivan Halasz, Ingo Opahle, Edith Alig, Lothar Fink, Jan W. Bats, Pham Thanh Cong, Hans-Wolfram Lerner, Biprajit Sarkar, Bernd Wolf, Harald O. Jeschke, Michael Lang, Roser Valentí, Robert Dinnebier and Matthias Wagner
CrystEngComm, 2011, 13, 391-395
DOI: 10.1039/C0CE00367K, Communication

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Hot Article: Modifying morphology with magnetism!

In this CrystEngComm Hot Article, Anne-Lise Daltin and colleagues show that high magnetic field can modify crystal morphology. Read their paper to discover how the influence of forces generated by the magnetic field effects the mechanism of Cu2O growth.

Read for FREE until the 20th January!

Morphology of magneto-electrodeposited Cu2O microcrystals 
Anne-Lise Daltin, Ahmed Addad, Patrick Baudart and Jean-Paul Chopart
CrystEngComm, 2011, Advance Article  DOI: 10.1039/C0CE00691B, Paper

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Happy Christmas from CrystEngComm

The Editorial Board and team at CrystEngComm would like to wish all their readers a very merry Christmas.

We are looking forward to an exciting time next year, with 24 issues of high quality crystal engineering research to appear in 2011. Following on from a fantastic year, where CrystEngComm acheived a 2009 impact factor of 4.18, we are expecting great things in 2011. Read the CrystEngComm editorial for more information.

The RSC Publishing office will be closed over Christmas, from 25th December until 4th January. We look forward to receiving your submission in the New Year. Submit your paper online now.

Best wishes and have a safe and happy holiday,

CrystEngComm Editorial Office

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HOT Article: Elegant electrochemistry to induce cocrystallisation

The scientists in this CrystEngComm Hot article have developed an impressive way to seperate carboxylic acids from fuels.

This is especially important with fuels produced from renewable biomass, where product removal enhances microbial growth and production. But the conventionally used technique to remove products by inducing crystallisation, does not work efficiently for carboxylic acids.

Johan Urbanus and colleagues based in the Netherlands, used electrochemistry to manipulate the pH to obtain neutral carboxylic acids, and used co-crystals to control the solubility to remove them. As the referees of this paper commented, this is an elegant use of electrochemical principles in cocrystallisation and product removal.

READ FOR FREE until 12th January

Electrochemically induced co-crystallization for product removal
Johan Urbanus, C. P. Mark Roelands, Jaroslaw Mazurek, Dirk Verdoes and Joop H. ter Horst
CrystEngComm, 2011, Advance Article
DOI: 10.1039/C0CE00284D, Communication

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December Crystal Clear: It’s Christmas with nanotinsel!

In keeping with the festive season, December’s Crystal Clear is a fantastic tinsel-like CdS nanostructure. The christmassy nanowires were created on Cd-coated copper foils via a solvothermal reaction combined with electroplating.

This eyecatching image is taken from an article in Issue 1 2011, by Xiangmin Meng and co-workers at Hefei University of Technology and the Chinese Academy of Sciences.

Magnificent CdS three-dimensional nanostructure arrays: the synthesis of a novel nanostructure family for nanotechnology
Xinzheng Lan, Yang Jiang, Huangming Su, Shanying Li, Di Wu, Xinmei Liu, Tingting Han, Ling Han, Kaixuan Qin, Honghai Zhong and Xiangmin Meng
CrystEngComm, 2011, 13, 145-152
DOI: 10.1039/C0CE00093K, Paper

READ FOR FREE until 5th January

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HOT Article: Dielectric properties in superlattices

In this CrystEngComm Hot article, (001)-oriented BaTiO3/LaNiO3 superlattics are made by a radio frequency sputtering method.

Liang Qiao and Xiaofang Bi noticed a dielectric anomaly in their superlattices; they observed that the  dielectric maxima shifted towards higher temperatures with an increase in frequency. Read on to see how they explain their results, and to find out more about the dielectric properties and phase transition characteristics of their BaTiO3/LaNiO3 superlattices.

Dielectric phase transition and relaxor behavior in BaTiO3/LaNiO3 superlattice
Liang Qiao and Xiaofang Bi

CrystEngComm, 2011, Advance Article
DOI: 10.1039/C0CE00665C, Paper

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