The N-Si interaction in two pentacoordinated silicon compounds is investigated based on a complementary bonding analysis, which consists of bonding descriptors from real space and orbital space. These are derived from X-ray wavefunction refinements of high-resolution X-ray diffraction data of single crystals and from isolated-molecule theoretical wavefunctions. The two pentacoordinated compounds only differ in one methylene group, so that the amino substituent is more flexible in one of the structures, hence probing the attractive or repulsive character of the N-Si interaction. All studies suggest weak dative interactions, which do, however, greatly influence the character of the Si-F bond: A strong N-Si interaction results in a weakened Si-F bond, which is quantified in this study experimentally and theoretically.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1039/c9dt02772f | DOI Listing |
Anal Chem
December 2024
School of Materials, Shenzhen Campus of Sun Yat-sen University, Shenzhen, Guangdong 518107, P. R. China.
The integration of a photosensitive gate into an organic electrochemical transistor has currently emerged as a promising route for biological sensing. However, the modification of the photosensitive gate always involves complex processes, and the degradation of sensitivity of the functional materials under illumination will significantly decrease the stability of the devices. Herein, we designed an organic photoelectrochemical transistor (OPECT) biosensor employing horseradish peroxidase (HRP)@glucose oxidase (GOx)/Pt/n-Si as the photosensitive gate based on the "shadow effect".
View Article and Find Full Text PDFInt J Mol Sci
November 2024
A.E. Favorsky Irkutsk Institute of Chemistry, Siberian Branch of the Russian Academy of Sciences, 1 Favorsky Street, 664033 Irkutsk, Russia.
The supramolecular structure of the crystal products--[2-chloro-2-(silatranyl)ethyl]-4-nitro-benzenesulfonamide and -chloro--[2-chloro-1-(silatran-1-yl-methyl)ethyl]benzene-sulfonamide was established by X-ray diffraction analysis data, FTIR spectroscopy and DFT quantum chemical calculations. Their crystal lattice is formed by cyclic dimers with intermolecular hydrogen NH∙∙∙O-Si bonds and CH∙∙∙O=S short contacts. The distribution of electron density in the monomers was determined using quantum chemical calculations of their molecular electrostatic potential (MESP) in an isolated state (in gas) and in a polar medium.
View Article and Find Full Text PDFMaterials (Basel)
August 2024
Microsystem and Terahertz Research Center, China Academy of Engineering Physics, Chengdu 610299, China.
Defect single-photon emitters (SPE) in gallium nitride (GaN) have garnered great attentions in recent years due to the advantages they offer, including the ability to operate at room temperature, narrow emission linewidths, and high brightness. Nevertheless, the precise nature of the single-photon emission mechanism remains uncertain due to the multitude of potential defects that can form in GaN. In this work, our systematical investigation with the ab initio calculation indicates that carbon and silicon, as common dopants in gallium nitride, can interact with intrinsic defects in GaN and form new high-speed defect single-photon sources.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
May 2024
Departamento de Química, Universidade Federal do Paraná, Centro Politécnico, Jardim das Américas, 81530-900, Curitiba-PR, Brazil.
The reaction of lithium hexa-methyl-disilyl-amide, [Li{N(Si(CH))}] (LiHMDS), with 4,4-dimethyl-2-phenyl-2-oxazoline (Phox, CHNO) in hexane produced colourless crystals of bis-(4,4-dimethyl-2-phenyl-2-oxazoline-κ)(hexa-methyl-disilyl-amido-κ)lithium, [Li(CHNSi)(CHNO)] or [Li{N(Si(CH))}(Phox)] in high yield (89%). Despite the 1:1 proportion of the starting materials in the reaction mixture, the product formed with a 1:2 amide:oxazoline ratio. In the unit cell of the 2/ space group, the neutral mol-ecules lie on twofold rotation axes coinciding with the Li-N(amide) bonds.
View Article and Find Full Text PDFChempluschem
August 2024
Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER), Sector 67, S. A. S., Nagar, Punjab, 160062, India.
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!