Competition between tetrel bond and pnicogen bond in complexes of TX3-ZX2 and NH3
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-018-3732-6
Abstract: The complexes formed between TX3–ZX2 (T = C, Si, Ge; Z = P, As, Sb; X = F, Cl) and NH3 were studied at the MP2/aug-cc-pVTZ(PP) level. For each TX3–ZX2, two types of complex were obtained. For CX3-ZX2, NH3 is inclined… read more here.
Keywords: bond; tetrel bond; pnicogen; tx3 zx2 ... See more keywords
Synergistic and antagonistic interplay between tetrel bond and pnicogen bond in complexes involving ring compounds
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-019-4206-1
Abstract: The binary and ternary complexes composed of GeH3F, AsH2F and ring compounds (benzene, borazine and cyclopentadienyl anion) have been studied by theoretical calculations to understand the interplay between the tetrel bond and pnicogen bond interactions.… read more here.
Keywords: pnicogen bond; bond; interplay; tetrel bond ... See more keywords
C(sp3) atoms as tetrel bond donors: A crystallographic survey
Sign Up to like & getrecommendations! Published in 2020 at "Coordination Chemistry Reviews"
DOI: 10.1016/j.ccr.2020.213265
Abstract: Abstract The σ-hole and π-hole interactions allow for a systematic understanding of some features of the attractive interactions involving elements of groups 13–18 of the periodic table and of some other groups. Areas of depleted… read more here.
Keywords: atoms tetrel; bond; sp3 atoms; tetrel bond ... See more keywords
Comparison for Electron Donor Capability of Carbon-Bound Halogens in Tetrel Bonds
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DOI: 10.1021/acsomega.1c04085
Abstract: The tetrel bond formed by HC≡CX, H2C=CHX, and H3CCH2X (X=F, Cl, Br, I) as an electron donor and TH3F (T=C, Si, Ge) was explored by ab initio calculations. The tetrel bond formed by H3CCH2X is… read more here.
Keywords: tetrel bonds; electron donor; comparison electron; bond ... See more keywords
Carbon's Three-Center, Four-Electron Tetrel Bond, Treated Experimentally.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.8b09367
Abstract: Tetrel bonding is the noncovalent interaction of group IV elements with electron donors. It is a weak, directional interaction that resembles hydrogen and halogen bonding yet remains barely explored. Herein, we present an experimental investigation… read more here.
Keywords: four electron; bond; tetrel bond; three center ... See more keywords
Fullerenes, Carbon Nanotubes and Graphene as Tetrel Bond Donors and Acceptors
Sign Up to like & getrecommendations! Published in 2023 at "CrystEngComm"
DOI: 10.1039/d3ce00184a
Abstract: The signs of the extrema of the molecular electrostatic surface potential (MESP) are an effective means of probing the surface reactivity behavior of molecular entities. Electrophilicity and nucleophilicity collectively explain... read more here.
Keywords: bond donors; carbon nanotubes; graphene tetrel; nanotubes graphene ... See more keywords
The Tetrel Bond and Tetrel Halide Perovskite Semiconductors
Sign Up to like & getrecommendations! Published in 2023 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms24076659
Abstract: The ion pairs [Cs+•TtX3−] (Tt = Pb, Sn, Ge; X = I, Br, Cl) are the building blocks of all-inorganic cesium tetrel halide perovskites in 3D, CsTtX3, that are widely regarded as blockbuster materials for… read more here.
Keywords: tetrel bond; tetrel; halide perovskite; tetrel halide ... See more keywords