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Designing novel Sn-Bi, Si-C and Ge-C nanostructures, using simple theoretical chemical similarities.

Zdetsis AD - Nanoscale Res Lett (2011)

Bottom Line: When successful, these concepts are very powerful and transparent, leading to a large variety of nanomaterials based on Si and other group 14 elements, similar to well known and well studied analogous materials based on boron and carbon.Some of the so called predicted structures have been already synthesized, not necessarily with the same rational and motivation.Finally, it is anticipated that such powerful and transparent rules and analogies, in addition to their predictive power, could also lead to far-reaching interpretations and a deeper understanding of already known results and information.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Physics University of Patras, GR 26500, Patra, Greece. zdetsis@upatras.gr.

ABSTRACT
A framework of simple, transparent and powerful concepts is presented which is based on isoelectronic (or isovalent) principles, analogies, regularities and similarities. These analogies could be considered as conceptual extensions of the periodical table of the elements, assuming that two atoms or molecules having the same number of valence electrons would be expected to have similar or homologous properties. In addition, such similar moieties should be able, in principle, to replace each other in more complex structures and nanocomposites. This is only partly true and only occurs under certain conditions which are investigated and reviewed here. When successful, these concepts are very powerful and transparent, leading to a large variety of nanomaterials based on Si and other group 14 elements, similar to well known and well studied analogous materials based on boron and carbon. Such nanomaterias designed in silico include, among many others, Si-C, Sn-Bi, Si-C and Ge-C clusters, rings, nanowheels, nanorodes, nanocages and multidecker sandwiches, as well as silicon planar rings and fullerenes similar to the analogous sp2 bonding carbon structures. It is shown that this pedagogically simple and transparent framework can lead to an endless variety of novel and functional nanomaterials with important potential applications in nanotechnology, nanomedicine and nanobiology. Some of the so called predicted structures have been already synthesized, not necessarily with the same rational and motivation. Finally, it is anticipated that such powerful and transparent rules and analogies, in addition to their predictive power, could also lead to far-reaching interpretations and a deeper understanding of already known results and information.

No MeSH data available.


Related in: MedlinePlus

Schematic illustration of the CH → Bi/BH → Sn analogy. Correspondence of stannaspherene (Sn12)2- with (B12H12)2- and analogous bismuth functionalized structures.
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Figure 7: Schematic illustration of the CH → Bi/BH → Sn analogy. Correspondence of stannaspherene (Sn12)2- with (B12H12)2- and analogous bismuth functionalized structures.

Mentions: The equivalent isoelectronic relations rules BH→Sn and BH1-→Bi. could be also considered in a similar way to the BH→Si and BH1-→CH rules: The latter analogy is effective in the synthesis of bisboranes, while the former is based on the equivalence of Si and Sn (belonging to the same group) and the boron connection. Such equivalence, as shown in Figure 7, was verified by the recent synthesis of the Sn122- dianion, the stannaspherene [21,39]. Through the stannaspherene synthesis, the possibility of forming functional nanostructures similar to hydrogenated silicon carbon nanorods and carborods is highly enhanced. The nanorods shown in Figure 8 are very stable (high binding energies) and homologous to each other. In addition, due to the formal equivalence of CH and SiH (in cases of sp3 bonding), we can assume the BH1-→CH→SiH replacement and examine the possibility of bifullerenes such as Bi20, in a similar manner to the corresponding C20H20 or Si20H20 fullerenes. As shown in Figure 9, the two types of fullerens are fully isolobal, which is highly suggestive that such bismuth cages could be eventually synthesized [40]. Moreover, since Si1- ions (or P atoms) are very popular doppands of C20H20 cages, forming Si1-@C20H20 or P@C20H20 embedded cages, we could expect that Bi@Bi20 cages would also be stable and isolobal to Si1-@C20H20. This is indeed the case [23]. Similar results have been obtained for P20, P@P20 or P@Bi20 cages, and so on [23]. It is further predicted and anticipated that nanostructures involving other elements or other combinations of group 14 and group 15 elements could, in principle, be realizable within the reservations expressed above (for example between C and Si) and the limitations due to the inert pair effect [10-15].


Designing novel Sn-Bi, Si-C and Ge-C nanostructures, using simple theoretical chemical similarities.

Zdetsis AD - Nanoscale Res Lett (2011)

Schematic illustration of the CH → Bi/BH → Sn analogy. Correspondence of stannaspherene (Sn12)2- with (B12H12)2- and analogous bismuth functionalized structures.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3211452&req=5

Figure 7: Schematic illustration of the CH → Bi/BH → Sn analogy. Correspondence of stannaspherene (Sn12)2- with (B12H12)2- and analogous bismuth functionalized structures.
Mentions: The equivalent isoelectronic relations rules BH→Sn and BH1-→Bi. could be also considered in a similar way to the BH→Si and BH1-→CH rules: The latter analogy is effective in the synthesis of bisboranes, while the former is based on the equivalence of Si and Sn (belonging to the same group) and the boron connection. Such equivalence, as shown in Figure 7, was verified by the recent synthesis of the Sn122- dianion, the stannaspherene [21,39]. Through the stannaspherene synthesis, the possibility of forming functional nanostructures similar to hydrogenated silicon carbon nanorods and carborods is highly enhanced. The nanorods shown in Figure 8 are very stable (high binding energies) and homologous to each other. In addition, due to the formal equivalence of CH and SiH (in cases of sp3 bonding), we can assume the BH1-→CH→SiH replacement and examine the possibility of bifullerenes such as Bi20, in a similar manner to the corresponding C20H20 or Si20H20 fullerenes. As shown in Figure 9, the two types of fullerens are fully isolobal, which is highly suggestive that such bismuth cages could be eventually synthesized [40]. Moreover, since Si1- ions (or P atoms) are very popular doppands of C20H20 cages, forming Si1-@C20H20 or P@C20H20 embedded cages, we could expect that Bi@Bi20 cages would also be stable and isolobal to Si1-@C20H20. This is indeed the case [23]. Similar results have been obtained for P20, P@P20 or P@Bi20 cages, and so on [23]. It is further predicted and anticipated that nanostructures involving other elements or other combinations of group 14 and group 15 elements could, in principle, be realizable within the reservations expressed above (for example between C and Si) and the limitations due to the inert pair effect [10-15].

Bottom Line: When successful, these concepts are very powerful and transparent, leading to a large variety of nanomaterials based on Si and other group 14 elements, similar to well known and well studied analogous materials based on boron and carbon.Some of the so called predicted structures have been already synthesized, not necessarily with the same rational and motivation.Finally, it is anticipated that such powerful and transparent rules and analogies, in addition to their predictive power, could also lead to far-reaching interpretations and a deeper understanding of already known results and information.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Physics University of Patras, GR 26500, Patra, Greece. zdetsis@upatras.gr.

ABSTRACT
A framework of simple, transparent and powerful concepts is presented which is based on isoelectronic (or isovalent) principles, analogies, regularities and similarities. These analogies could be considered as conceptual extensions of the periodical table of the elements, assuming that two atoms or molecules having the same number of valence electrons would be expected to have similar or homologous properties. In addition, such similar moieties should be able, in principle, to replace each other in more complex structures and nanocomposites. This is only partly true and only occurs under certain conditions which are investigated and reviewed here. When successful, these concepts are very powerful and transparent, leading to a large variety of nanomaterials based on Si and other group 14 elements, similar to well known and well studied analogous materials based on boron and carbon. Such nanomaterias designed in silico include, among many others, Si-C, Sn-Bi, Si-C and Ge-C clusters, rings, nanowheels, nanorodes, nanocages and multidecker sandwiches, as well as silicon planar rings and fullerenes similar to the analogous sp2 bonding carbon structures. It is shown that this pedagogically simple and transparent framework can lead to an endless variety of novel and functional nanomaterials with important potential applications in nanotechnology, nanomedicine and nanobiology. Some of the so called predicted structures have been already synthesized, not necessarily with the same rational and motivation. Finally, it is anticipated that such powerful and transparent rules and analogies, in addition to their predictive power, could also lead to far-reaching interpretations and a deeper understanding of already known results and information.

No MeSH data available.


Related in: MedlinePlus