Theoretical Study of Substituent Effects on Geometric and Spectroscopic Parameters (IR, 13C, 29Si NMR) and Energy Decomposition Analysis of the Bonding in Molybdenum Silylidyne Complexes CpMo(CO)2(≡Si‐para‐C6H4X)
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DOI: 10.1002/jccs.201600795
Abstract: In this study, we report the substituent effect on the structures, frontier orbital analysis, and spectroscopic properties (IR, 13C, 29Si NMR) in the molybdenum silylidyne complexes CpMo(CO)2(≡Si-para-C6H4X) (X = H, F, Cl, CN, NO2 , Me, OMe,… read more here.
Keywords: analysis; 13c 29si; para c6h4x; cpmo para ... See more keywords
1H, 13C and 29Si magnetic shielding in gaseous and liquid tetramethylsilane.
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DOI: 10.1016/j.jmr.2020.106716
Abstract: Tetramethylsilane (TMS) is well-known as a reference standard of 1H, 13C and 29Si NMR chemical shifts. In the present study, we have observed TMS molecules in gaseous and liquid solutions. In the gas phase, the… read more here.
Keywords: 13c 29si; gaseous liquid; tms; tetramethylsilane ... See more keywords
Asymptotic Similarity of Time Correlation Functions and Shape of the 13C and 29Si NMR Spectra in Diamond and Silicon
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DOI: 10.1134/s1063776118080216
Abstract: Based on the proposed theory, we have investigated the shape of the NMR absorption spectra for 13C and 29Si nuclei in diamond and silicon crystals attributable to the internuclear dipole–dipole interaction. In accordance with the… read more here.
Keywords: time correlation; 13c 29si; time; correlation functions ... See more keywords