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• W2009875769 startingPage "8143" @default.
• W2009875769 abstract "Computational studies of a chiral lithium amide (lithium (2-methoxy-(R)-1-phenylethyl)((S)-1-phenylethyl)amide, 3) using the solid-state structure as a reference geometry showed that there were only small differences between the X-ray and ab initio and PM3 calculated structures. Furthermore, we have shown that reference distances from either X-ray or ab initio/PM3 can be used for the calculation of Li−H distances using Li−H NOE data. The calculations of Li−H distances using HOESY buildup rates showed that the solution structure of 3·THF is similar to the structure obtained in the gas phase (calculated) and in the solid phase (X-ray). Small variations of ±0.2 Å were observed between X-ray/ab initio and NOE data for distances less than 4 Å." @default.
• W2009875769 created "2016-06-24" @default.
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• W2009875769 date "1998-08-01" @default.
• W2009875769 modified "2023-10-14" @default.
• W2009875769 title "Toward Solution-State Structure. A ⁶Li,¹H HOESY NMR, X-ray Diffraction, Semiempirical (PM3, MNDO), and ab Initio Computational Study of a Chiral Lithium Amide" @default.
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• W2009875769 doi "https://doi.org/10.1021/ja9724708" @default.
• W2009875769 hasPublicationYear "1998" @default.
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