Are the Structural Analogues and Charged Homologues of Carbones Pseudoallenes (R <sub>2</sub> C=C=CR <sub>2</sub> ), Pseudocarbenes (R <sub>2</sub> C–C: <sup>−</sup> =C <sup>+</sup> R <sub>2</sub> ) or Pseudocarbones (R <sub>2</sub> C <sup>+</sup> –C

Carbones bear the same resonance contributor X<sup>+</sup>-C<sup>2-</sup>-Y<sup>+</sup> (X<sup>+</sup>, Y<sup>+</sup> = PR<sub>3</sub> <sup>+</sup>, CR<sub>2</sub> <sup>+</sup>, SR<sub>2</sub> <sup>+</sup>, SeR<sub>2</sub> <sup>+</sup>, S<sup>+</sup>R<sub>2</sub> = NR) and exhibit unique bonding and donating properties at the central carbon atom. Both the analogues of carbones C<sup>+</sup>-Z<sup>2-</sup>-C<sup>+</sup> (Z = Si, Ge, Sn, Pb) and the large number of charged main group homologues C=Z=C (Z = B<sup>-</sup>, Al<sup>-</sup>, Ga<sup>-</sup>, N<sup>+</sup>, P<sup>+</sup>, As<sup>+</sup>, Sb<sup>+</sup>, Bi<sup>+</sup>, O<sup>2+</sup>, S<sup>2+</sup>, Se<sup>2+</sup> and Te<sup>2+</sup>) are known for comparable bonding and donating properties. The electronic structure of the carbone homologues and analogues has been studied on basis of both their geometry and their spatial magnetic properties (through-space-NMR-shieldings [TSNMRSs]) with regard to the present dominating electronic structure (beside carbone-like [<sup>+</sup>C-Z<sup>2-</sup>-C<sup>+</sup>] also allene-like [C=Z=C] or carbene-like [<sup>+</sup>C-Z<sup>-</sup>=C]). TSNMRS values have been calculated using the GIAO perturbation method employing the nucleus independent chemical shift (NICS) concept and the results visualized as iso-chemical-shielding surfaces (ICSS) of various size and direction. The synergy of geometry (bond lengths, bond angles of linear, bent, orthogonal or twisted structures) and the spatial magnetic properties (anisotropy effect of C=C in allene-like or partial C=C double bonds in carbene-like structures, and the ball-like anisotropy effect of central hetero atom Z of carbone-like structures) provide a comprehensive picture of the respective structure and the dominating resonance contributor.

Authors

Institutions

Publication Details

Journal
Magnetic Resonance in Chemistry
Published
2025-06-02
DOI
https://doi.org/10.1002/mrc.5539
Citations
1
Primary Topic
Synthesis and characterization of novel inorganic/organometallic compounds
Type
article
Field-Weighted Citation Impact
0.54
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

Are the Structural Analogues and Charged Homologues of Carbones Pseudoallenes (R 2 C=C=CR 2 ), Pseudocarbenes (R 2 C–C: − =C + R 2 ) or Pseudocarbones (R 2 C + –C

Andreas Koch, Erich Kleinpeter
1 citations
Magnetic Resonance in Chemistry
Synthesis and characterization of novel inorganic/organometallic compounds
0.54
article

Are the Structural Analogues and Charged Homologues of Carbones Pseudoallenes (R 2 C=C=CR 2 ), Pseudocarbenes (R 2 C–C: − =C + R 2 ) or Pseudocarbones (R 2 C + –C

Andreas Koch, Erich Kleinpeter
article en
1 citations

Abstract

Carbones bear the same resonance contributor X<sup>+</sup>-C<sup>2-</sup>-Y<sup>+</sup> (X<sup>+</sup>, Y<sup>+</sup> = PR<sub>3</sub> <sup>+</sup>, CR<sub>2</sub> <sup>+</sup>, SR<sub>2</sub> <sup>+</sup>, SeR<sub>2</sub> <sup>+</sup>, S<sup>+</sup>R<sub>2</sub> = NR) and exhibit unique bonding and donating properties at the central carbon atom. Both the analogues of carbones C<sup>+</sup>-Z<sup>2-</sup>-C<sup>+</sup> (Z = Si, Ge, Sn, Pb) and the large number of charged main group homologues C=Z=C (Z = B<sup>-</sup>, Al<sup>-</sup>, Ga<sup>-</sup>, N<sup>+</sup>, P<sup>+</sup>, As<sup>+</sup>, Sb<sup>+</sup>, Bi<sup>+</sup>, O<sup>2+</sup>, S<sup>2+</sup>, Se<sup>2+</sup> and Te<sup>2+</sup>) are known for comparable bonding and donating properties. The electronic structure of the carbone homologues and analogues has been studied on basis of both their geometry and their spatial magnetic properties (through-space-NMR-shieldings [TSNMRSs]) with regard to the present dominating electronic structure (beside carbone-like [<sup>+</sup>C-Z<sup>2-</sup>-C<sup>+</sup>] also allene-like [C=Z=C] or carbene-like [<sup>+</sup>C-Z<sup>-</sup>=C]). TSNMRS values have been calculated using the GIAO perturbation method employing the nucleus independent chemical shift (NICS) concept and the results visualized as iso-chemical-shielding surfaces (ICSS) of various size and direction. The synergy of geometry (bond lengths, bond angles of linear, bent, orthogonal or twisted structures) and the spatial magnetic properties (anisotropy effect of C=C in allene-like or partial C=C double bonds in carbene-like structures, and the ball-like anisotropy effect of central hetero atom Z of carbone-like structures) provide a comprehensive picture of the respective structure and the dominating resonance contributor.

Magnetic Resonance in ChemistryVol. 63(8)
University of Potsdam (DE)
Openalex Percentile: Top 35%
Synthesis and characterization of novel inorganic/organometallic compounds
0.54
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.

Are the Structural Analogues and Charged Homologues of Carbones Pseudoallenes (R <sub>2</sub> C=C=CR <sub>2</sub> ), Pseudocarbenes (R <sub>2</sub> C–C: <sup>−</sup> =C <sup>+</sup> R <sub>2</sub> ) or Pseudocarbones (R <sub>2</sub> C <sup>+</sup> –C — Andreas Koch, Erich Kleinpeter · Magnetic Resonance in Chemistry (2025) | TGRS Research Map | TGRS