Crossref
journal-article
Wiley
Angewandte Chemie International Edition (311)
References
30
Referenced
23
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{'key': 'e_1_2_3_18_2', 'first-page': '317', 'volume-title': 'Organosilicon Chemistry II: From Molecules to Materials', 'author': 'Grobe J.', 'year': '1996'}
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- All calculations were carried out by using Gaussian 03 Gaussian Inc. Pittsburgh 2003.
- The structures were optimized by using DFT calculations at the B3LYP/6‐31G(d) level. Refined energies were obtained at the B3LYP/6‐311+G(2d p) level and corrections for the free enthalpyGat 298 K were computed at the B3LYP/6‐31G(d) level. These corrections were added to the energies obtained at the B3LYP/6‐311+G(2d p) level. Each stationary point was identified either as an intermediate or transition state (TS) by a subsequent frequency calculation. Intrinsic reaction coordinate (IRC) computations were used to connect the transition states with the appropriate minima. The influence of the basis‐set size on the computed geometries and relative energies was tested at the B3LYP/6‐311+G(d p) level of theory for several compounds and was found to be insignificant in all cases. All calculated data are presented in the Supporting Information.
- The dilithium salt1crystallizes from THF in the η1–η5form (see ref. [3]); in solution however the η5–η5isomer prevails (see ref. [20]).
{'key': 'e_1_2_3_26_2', 'first-page': '144', 'volume-title': 'Organosilicon Chemistry III: From Molecules to Materials', 'author': 'Müller T.', 'year': '1998'}
/ Organosilicon Chemistry III: From Molecules to Materials by Müller T. (1998)- Computed at GIAO/B3LYP/6‐311+G(2d p)//B3LYP/6‐31G(d). Calculated σ(Si) for TMS: 329.3.
- Bruker‐AXS. (2000–2003) SADABS V.2.05 SAINT V.6.22 SHELXTL V.6.10 & SMART 5.622 Software Reference Manuals. Bruker‐AXS Madison Wisconsin USA.
Dates
Type | When |
---|---|
Created | 19 years, 5 months ago (March 14, 2006, 5:17 a.m.) |
Deposited | 1 year, 10 months ago (Oct. 16, 2023, 10:37 a.m.) |
Indexed | 4 months, 1 week ago (April 18, 2025, 3:46 a.m.) |
Issued | 19 years, 4 months ago (April 4, 2006) |
Published | 19 years, 4 months ago (April 4, 2006) |
Published Online | 19 years, 4 months ago (April 4, 2006) |
Published Print | 19 years, 4 months ago (April 10, 2006) |
@article{Toulokhonova_2006, title={Unusual Reaction of 1,1‐Dilithio‐2,3,4,5‐tetraphenylsilole with 1,3‐Dienes Yielding Spirosilanes and Elemental Lithium}, volume={45}, ISSN={1521-3773}, url={http://dx.doi.org/10.1002/anie.200503362}, DOI={10.1002/anie.200503362}, number={16}, journal={Angewandte Chemie International Edition}, publisher={Wiley}, author={Toulokhonova, Irina S. and Friedrichsen, Dennis R. and Hill, Nicholas J. and Müller, Thomas and West, Robert}, year={2006}, month=apr, pages={2578–2581} }