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4. See Supporting Information for the details.
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27644511130
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note
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max/nm (ε) 468 (14600), 328 (8230), 288 (7850).
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19
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27644520751
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note
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Attempted detection of intermediate disilene 3 failed. See Supporting Information for the details.
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The strain energy of parent cyclotetrasilane (12.9 kcal/mol) has been calculated to be much larger than that of parent cyclopentasilane (3.0 kcal/mol) at the B3LYP/6-311++G(3df,2p)//B3LYP/6-31G(d) level. Naruse, Y.; Ma, J.; Inagaki, S. Tetrahedron Lett. 2001, 42, 6553.
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27644446778
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note
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3. R = 0.080 (I > 2σ(I)), wR2 = 0.213 (all data), GOF = 1.06.
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26
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27644470438
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note
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i) are slightly puckered at the 3- and 7-positions. See Supporting Information for the details.
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12 representing Si(001) up to the fourth layer are calculated to be 51.6 and 64.1° at the B3LYP/6-31G(d) level. See Supporting Information for details.
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27644438591
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For details of X-ray analysis of 5-7, see Supporting Information.
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