Varga, Vojtech’s team published research in Organometallics in 28 | CAS: 17877-23-5

Organometallics published new progress about 17877-23-5. 17877-23-5 belongs to alcohols-buliding-blocks, auxiliary class Protection and Derivatization Reagent, name is Triisopropylsilanol, and the molecular formula is C19H17N2NaO4S, Application of Triisopropylsilanol.

Varga, Vojtech published the artcileEvaluation of the Oxygen π-Donation in Permethyltitanocene Silanolates and Alcoholates, Application of Triisopropylsilanol, the publication is Organometallics (2009), 28(6), 1748-1757, database is CAplus.

[Cp*2Ti(III)OR’] where R’ is iPr3Si (2), Ph3Si (3), (tBuO)3Si (4), (c-C5H9)7Si8O12 (5), and tBu (6) were prepared by protolysis of the Ti-methylene bond in singly tucked-in permethyltitanocene [Cp*Ti(III)(η51-C5Me4CH2)] with the resp. silanols or tert-BuOH. Their electronic transitions from the ground-state mols. to their 1st excited states (dominantly a 1a1 → b2 transition) occur in the range 1300-1800 nm, originating from π-donation from O lone pair electrons to the Ti-O bond (as found by Andersen et al. J. Am. Chem. Soc. 1996, 118, 1719). The x-ray crystal structures of 24 and 6 revealed that steric effects of substituents R’ change the geometry of the titanocene moiety only negligibly. DFT calculations of the 1a1 → b2 transition for optimized structures of 2, 4, 6, [Cp*2Ti(III)OH] (7), and [Cp*2Ti(III)OMe] (8) reproduced the dependence of exptl. λ(1a1 → b2) on electron donation/attraction properties of R’ and revealed that the decrease of the O π-donation is accompanied with an increase in neg. natural charge on the OR’ group. The observed increase of λexp(1a1 → b2) in the order of substituents R’, Me < tBu < H < Ph < SiiPr3 < SiPh3 approx. Si(OtBu)3 < (c-C5H9)7Si8O12 (SIPOSS cluster), thus indicates the decrease of Ti-O π-interaction with an increased polarity of the Ti-O bond. The DFT calculations of 7 with the naturally bent and collinear Ti-O-H conformation showed only a small effect of bending on the O π-donation.

Organometallics published new progress about 17877-23-5. 17877-23-5 belongs to alcohols-buliding-blocks, auxiliary class Protection and Derivatization Reagent, name is Triisopropylsilanol, and the molecular formula is C19H17N2NaO4S, Application of Triisopropylsilanol.

Referemce:
https://en.wikipedia.org/wiki/Alcohol,
Alcohols – Chemistry LibreTexts