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- W2058556521 abstract "To investigate the intramolecular van der Waals interactions between two divalent selenium centers in the solid state and in solution, we have prepared methyl 2-(methylselenyl)benzyl selenide (1), ethynyl 2-(methylselenyl)benzyl selenide (2), and 2-(methylselenyl)benzyl selenocyanate (3). By means of NMR spectroscopic studies we have determined the 77Se NMR chemical shifts of the signals of the Se centers of 1–3 and their long-range 4JSe,Se coupling constants. These results, and the X-ray structural studies of single crystals of 3 and 11, a quasi-dimer of 2, point to an Se···Se van der Waals interaction and short Se···H distances in 1–3. These measurements were supported by quantum chemical calculations on 1–3 at the MP2/6-311+g(d)//B98/6-311+g(d) level of theory, which showed a preference for the endoX and endoH conformations of 1–3. This finding was confirmed by calculations of the 77Se NMR chemical shifts of 1–3 by GIAO-B98 and GIAO-PBE calculations.(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)" @default.
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- W2058556521 date "2009-06-01" @default.
- W2058556521 modified "2023-10-02" @default.
- W2058556521 title "Intramolecular Nonbonded Interactions Between Divalent Selenium Centers with Donor and Acceptor Substituents" @default.
- W2058556521 cites W117960539 @default.
- W2058556521 cites W1555172719 @default.
- W2058556521 cites W193120015 @default.
- W2058556521 cites W1965724825 @default.
- W2058556521 cites W1969251232 @default.
- W2058556521 cites W1970549136 @default.
- W2058556521 cites W1971275758 @default.
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- W2058556521 cites W1981368803 @default.
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- W2058556521 cites W2001319420 @default.
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- W2058556521 doi "https://doi.org/10.1002/ejoc.200900108" @default.
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