where MZeo-nH2O stands for M(IV)-incorporated zeolites respectively adsorbed with N-numbered water (n = 0, 1, 2, 3, 4). Noting that the E ad2 calculations were based on the lower-energy MZeo-H2O configurations (e.g., Sn9 P b rather than Sn9 P a due to the larger E ad1...
Experimental and theoretical methods result in a structure with planar C S N S O skeleton (Cs symmetry), anti orientation of the S C bond relative to the N S bond and syn orientation of the S N bond relative to the S O double bond (anti-syn structure). The following skeletal ...
The FTIR absorption spectra of Ga2O3(Sn) samples annealed at 750 °C (Figure 8) indicate that the introduction of 0.14 at.% Sn does not affect the peaks of the lattice Ga–O and Ga–O–Ga vibrations apparently due to the incorporation of Sn(IV) into the Ga2O3 crystal lattice. The ...
Peaks appeared at about 284.8 eV, 285.3 eV, 285.6 eV and 286.4 eV, corresponding to the C−C/C=C, C−S, C−N and C−O bonds, respectively [37]. In the high-resolution spectrum of Sn 3d (Figure 4c), The Sn 3d5/2 peak was split into three peaks with binding energies of...
Yu Guo, Johannes Messinger*, Lars Kloo*, and Licheng Sun*, Reversible Structural Isomerization of Nature’s Water Oxidation Catalyst Prior to O–O Bond Formation, J. Am. Chem. Soc. 2022 DOI: 10.1021/jacs.2c03528 https://pubs.acs.org...
FTIR实验结果与分子体系建模 嵌段共聚物7PAPO-3MP和对照共混样品7PAPO/3MP和7PAPP/3MPP的FTIR谱图如图2所示。对比7PAPO/3MP,7PAPO⁃3MP在996cm-1处的P—OH峰变弱,在883 cm-1处P—O—P峰增强,证明发生了磷酸的脱水反应。与共...
Ligand properties of 1 and 2 were compared to PPh3 and dmiy (N,N′-dimethylimidazolin-2-ylidene) using theoretical calculations (PBE/TZ2P) and FTIR. Ligand dissociation energies increase in the order Ph3P < 2∼1 < dmiy, while donor strength rise in the order PPh3 < dmiy < 2 < 1....
Sterically Induced Reductive Elimination To Form the C−O Bond in Diaryl Ethers transfer catalysts have been studied intensively primarily for enantioselective carbon-carbon or carbon-heteroatom bond-forming reactions under mild biphasic ... Grace,Mann,Christopher,... - 《Journal of the American ...
conversionofhydrocarbons.Achangeofbondstrength drocyclization,andisomerizationreactions(18–19).Someof thesereactionsoccuronmetallicsites,sometakeceonacid 1Towhomcorrespondenceshouldbeaddressed.sites,whileothersrequireabifunctionalmechanism. 478 0021-9517/98$25.00 ...
The average structure of SiF 2 in its ground state is computed and found to be 〈 r 〉=1.5947 , 〈α〉=100°53′, where r is the Si–F bond distance and α the F–Si–F angle. A table of thermodynamic functions of SiF 2 is presented. 展开 ...