Davide M Proserpio

Learn More
Rules for determining a unique natural tiling that carries a given three-periodic net as its 1-skeleton are presented and justified. A computer implementation of the rules and their application to tilings for zeolite nets and for the nets of the RCSR database are described.
Herein we describe some properties and the occurrences of a beautiful geometric figure that is ubiquitous in chemistry and materials science, however, it is not as well-known as it should be. We call attention to the need for mathematicians to pay more attention to the richly structured natural world, and for materials scientists to learn a little more(More)
Survey Lucia Carlucci,*,† Gianfranco Ciani,† Davide M. Proserpio,*,†,‡ Tatiana G. Mitina,‡ and Vladislav A. Blatov*,‡,§ †Dipartimento di Chimica, Universita ̀ degli Studi di Milano, Via C. Golgi 19, 20133 Milano, Italy ‡Samara Center for Theoretical Materials Science, Samara State University, Ac. Pavlov Street 1, Samara 443011, Russia Chemistry Department,(More)
The modular engineering of heterometallic nanoporous metal-organic frameworks (MOFs) based on novel tris-chelate metalloligands, prepared using the functionalised β-diketone 1,3-bis(4'-cyanophenyl)-1,3-propanedione (HL), is described. The complexes [M(III)L(3)] (M=Fe(3+), Co(3+)) and [M(II)L(3)](NEt(4)) (M=Mn(2+), Co(2+), Zn(2+), Cd(2+)) have been(More)
Atsushi Kondo,† Hiroshi Noguchi,† Lucia Carlucci,‡ Davide M. Proserpio,‡ Gianfranco Ciani,‡ Hiroshi Kajiro,*,§ Tomonori Ohba,† Hirofumi Kanoh,*,† and Katsumi Kaneko† Graduate School of Science, Chiba UniVersity, Yayoi, Inage, Chiba 263-8522, Japan, Nippon Steel Corporation, Shintomi, Futtsu, Chiba 293-8511, Japan, and Dipartimento di Chimica Strutturale e(More)
Halogen bonding (XB) has been used to assemble tetrakis(4-pyridyl)pentaerythritol (tetradentate XB acceptor) with different alpha,omega-diiodoperfluoroalkanes (bidentate XB donors) or tetrakis(4-iodotetrafluorophenyl)pentaerythritol (tetradentate XB donor). The remarkable linearity of the XB formed, the rodlike character of(More)
A comprehensive study of the occurrence of two-shell clusters with the first shell as a Frank-Kasper polyhedron Z12, Z14, Z15, or Z16 (Frank-Kasper nanoclusters) is performed for 22,951 crystal structures of intermetallics containing only metal atoms. It is shown that besides the familiar Bergman and Mackay clusters, two more types of high-symmetrical(More)
Urea groups are known to form strong hydrogen bonds with molecules containing atom(s) that can act as hydrogen bond acceptor(s). Thus, urea is a particularly interesting building block for designing receptors for neutral or charged guests. In the quest for new sensors with enhanced performance for the detection of nitro-substituted compounds, two pillared(More)