Infrared spectrum of the disilane cation (Si2H6+) from Ar-tagging spectroscopy.

Phys Chem Chem Phys

Institut für Optik und Atomare Physik, Technische Universität Berlin, Hardenbergstraße 36, 10623 Berlin, Germany.

Published: February 2013

The infrared spectrum of the disilane cation, Si(2)H(6)(+), in its (2)A(1g) ground state is inferred from photodissociation of cold Si(2)H(6)(+)-Ar(n) complexes (n = 1, 2). Vibrational analysis is consistent with a D(3d) symmetric structure of H(3)SiSiH(3)(+) generated by ionization from the bonding σ(SiSi) orbital. Structural, vibrational, and electronic properties of Si(2)H(6)((+)) and Si(2)H(6)(+)-Ar(1,2) are determined at the MP2/aug-cc-pVTZ and B3LYP/aug-cc-pVTZ levels. Ar ligands bind weakly at the C(3) axis on opposite sides to Si(2)H(6)(+) with only a minor impact on the Si(2)H(6)(+) properties. The calculations reveal a low-energy H(2)SiHSiH(3)(+) isomer with C(s) symmetry and a Si-H-Si bridge, which is only ~15 kJ mol(-1) above the D(3d) structure.

Download full-text PDF

Source
http://dx.doi.org/10.1039/c2cp43773bDOI Listing

Publication Analysis

Top Keywords

infrared spectrum
8
spectrum disilane
8
disilane cation
8
cation si2h6+
8
si2h6+
5
si2h6+ ar-tagging
4
ar-tagging spectroscopy
4
spectroscopy infrared
4
si2h6+ 2a1g
4
2a1g ground
4

Similar Publications

A Reliable High-Performance Floating-Gate Transistor Based on ZrS Native Oxidation for Optoelectronic Synergistic Artificial Synapses.

ACS Appl Mater Interfaces

January 2025

Henan Key Laboratory of Infrared Materials & Spectrum Measures and Applications, School of Physics, Henan Normal University, Xinxiang 453007, China.

Floating-gate transistors (FGTs), considered the most promising structure among three-terminal van der Waals (vdW) synaptic transistors, possess superiorities in improved data retention, excellent endurance properties, and multibit storage capacity, thereby overcoming the von Neumann bottleneck in conventional computing architectures. However, the dielectric layer in FGT devices typically depends on atomic layer deposition or mechanically transferred insulators, posing several challenges in terms of device compatibility, manufacturing complexity, and performance degradation. Therefore, it is crucial to discover dielectrics compatible with two-dimensional (2D) materials for further simplifying FGT structures and achieving optimal performance.

View Article and Find Full Text PDF

Purpose: Photobiomodulation (PBM) is a non-invasive therapeutic procedure that consists of irradiating a local area of the skin with red and near-infrared lasers or light emitting diodes (LEDs). Local PBM has been studied as a method to improve exercise performance and recovery. This review aims to evaluate the efficacy of whole-body PBM for exercise performance and recovery, comparing its findings to the established effects of localized PBM.

View Article and Find Full Text PDF

This work represents a comprehensive study of the ground vibrational state of C-13 substituted methanol using very high-resolution far-infrared (FIR) and infrared (IR) Synchrotron Radiation spectra recorded with a very high signal-to-noise (S/N) ratio in the entire region from 40to5000cm, at the Canadian Light sources. High resolution combined with a high S/N ratio allowed the recording to be done with an unprecedented resolution of about 0.0017cm.

View Article and Find Full Text PDF

Non-optically active water quality parameters (NAWQPs) are essential for surface water quality assessments, although automated monitoring methods are time-consuming, include labor-intensive chemical pretreatment, and pose challenges for high spatiotemporal resolution monitoring. Advancements in spectroscopic techniques and machine learning may address these issues. We integrated ultraviolet-visible-near infrared absorption spectroscopy with physical-chemical measurements to predict total nitrogen (TN), dissolved oxygen (DO), and total phosphorus (TP) in the Yangtze River Basin, China.

View Article and Find Full Text PDF

Scientific-grade spectrometers with high hyperspectral resolution and high spectral accuracy are desirable in miniaturized optical systems to maintain stable and real-time spectral sampling. Fourier transform spectrometers that utilize high-precision moving mirrors generally struggle to enhance their miniaturization and stable real-time performance. A static infrared spectral measurement method is proposed that uses micro/nano-optical devices as the core of static interference and lightweight imaging.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!