On the Power of Geometry over Tetrel Bonds
Keyword(s):
Tetrel bonds are noncovalent interactions formed by tetrel atoms (as σ-hole carriers) with a Lewis base. Here, we present a computational and molecular orbital study on the effect of the geometry of the substituents around the tetrel atom on the σ-hole and on the binding strengths. We show that changing the angles between substituents can dramatically increase bond strength. In addition, our findings suggest that the established Sn > Ge > Si order of binding strength can be changed in sufficiently distorted molecules due to the enhancement of the charge transfer component, making silicon the strongest tetrel donor.
1995 ◽
Vol 71
(1-3)
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pp. 1829-1830
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Keyword(s):
1993 ◽
Vol 214
(1)
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pp. 69-76
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Keyword(s):
1993 ◽
Vol 232
(1)
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pp. 323-332
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Keyword(s):
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1974 ◽
Vol 46
(1)
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pp. 1-19
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1990 ◽
Vol 28
(12)
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pp. 3185-3219
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