Electromagnetic radiation in the mid- to far-infrared spectral range represents an indispensable tool for the study of numerous types of collective excitations in solids and molecules. Short and intense pulses in this terahertz spectral range are, however, difficult to obtain. While wide wavelength-tunability is easily provided by free-electron lasers, the energies of individual pulses are relatively moderate, on the order of microjoules.
View Article and Find Full Text PDFJ Phys Condens Matter
November 2018
Small cobalt clusters [Formula: see text] and their single chromium atom doped counterparts Co Cr (n = 3-5) were studied mass spectrometrically by measuring the infrared multiple photon dissociation (IRMPD) spectra of the corresponding argon tagged complexes. The geometric and electronic structures of the [Formula: see text] and Co Cr (n = 3-5) clusters as well as their Ar complexes were optimized by density functional theory (DFT) calculations. The obtained lowest energy structures were confirmed by comparing the IRMPD spectra of [Formula: see text] and [Formula: see text] (n = 3-5, m = 3 and 4) with the corresponding calculated IR spectra.
View Article and Find Full Text PDFThe electronic structure of metal clusters is notoriously difficult to detect spectroscopically, due to rapid relaxation into the ground state following excitation. We have used IR multiple photon excitation to identify a low-lying electronic state in a tantalum carbide cluster. The electronic excitation is found at 458 cm , and is confirmed by experiments on isotopically labeled clusters.
View Article and Find Full Text PDFA previous infrared multiple photon dissociation (IRMPD) action spectroscopy and density functional theory (DFT) study explored the structures of the [M,C,2H] products formed by dehydrogenation of methane by four, gas-phase 5d transition metal cations (M = Ta, W, Ir, and Pt). Complicating the analysis of these spectra for Ir and Pt was observation of an extra band in both spectra, not readily identified as a fundamental vibration. In an attempt to validate the assignment of these additional peaks, the present work examines the gas phase [M,C,2D] products of the same four metal ions formed by reaction with perdeuterated methane (CD).
View Article and Find Full Text PDFIdentification of prognostic molecular markers of breast cancer is extremely important. The spreading out of the primary breast tumour cells to the lymphatic system is at the forefront of symbolising the first signs of distant organ metastasis. Deregulated genes in breast cancer tissues that spread to lymph nodes may show early predictive molecular markers.
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