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1 article(s) from Preda, Ana-Maria

Evaluation of dispersion type metal···π arene interaction in arylbismuth compounds – an experimental and theoretical study

Ana-Maria Preda,
Małgorzata Krasowska,
Lydia Wrobel,
Philipp Kitschke,
Phil C. Andrews,
Jonathan G. MacLellan,
Lutz Mertens,
Marcus Korb,
Tobias Rüffer,
Heinrich Lang,
Alexander A. Auer and
Michael Mehring

Beilstein J. Org. Chem. 2018, 14, 2125–2145, doi:10.3762/bjoc.14.187

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Graphical Abstract

Scheme 1: Triarylbismuth compounds, that serve as examples for the investigation of bismuth···π interactions ...

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Figure 1: Ball and stick model of a fragment of a) the zig-zag chain of a 1D arrangement of Ph₃Bi (1a). Hydro...

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Figure 2: Ball and stick model of a fragment of the zig-zag type arrangement of Ph₃Bi (1b) [45], view along the b...

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Figure 3: Ball and stick model of Ph₃Bi (1c) showing: a) non-centrosymmetric dimers formed via two Bi···π are...

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Figure 4: Wire and stick representation of (C₆H₄-CH═CH₂-4)₃Bi (2a) showing: a) zig-zag chains of 1D ribbons f...

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Figure 5: Wire and stick model of (C₆H₄-CH═CH₂-4)₃Bi (2b) showing: a) the formation of 1D ribbons build via t...

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Figure 6: Molecular structure of (C₆H₄-OMe-4)₃Bi (3) showing: a) Thermal ellipsoids that are set at 50% proba...

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Figure 7: Wire and stick model of (C₆H₃-t-Bu₂-3,5)₃Bi (4) showing a 3D network build via four C–H_t-_Bu···π (ar...

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Figure 8: Wire and stick model of (C₆H₃-t-Bu₂-3,5)₂BiCl (5) showing a fragment of the 1D arrangement, view al...

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Figure 9: Computed interaction potentials of the distance scan for the idealized BiPh₃–benzene complex. E(int...

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Figure 10: a) The BiPh₃ potential energy curve for idealized interaction structures compared to the interactio...

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Figure 11: Structures of studied BiPh₃ tetramers extracted from the crystal structure of polymorph 1a. E_tetram...

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Figure 12: Detailed structures of selected dimers extracted from the crystal structure of polymorph 1a and dis...

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Figure 13: Structures of studied BiPh₃ tetramers extracted from the crystal structure of polymorph 1b. See Figure 11 fo...

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Figure 14: Detailed structures of selected dimers extracted from the crystal structure of polymorph 1b and dis...

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Figure 15: Structures of studied BiPh₃ tetramers extracted from the crystal structure of polymorph 1c. See Figure 11 fo...

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Figure 16: Detailed structures of selected dimers extracted from the crystal structure of the polymorph 1c and...

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Figure 17: Distortion energies of monomers (E_prep, blue triangles) and interaction energies of Bi···π and π-st...

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Published 15 Aug 2018

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