The monitoring of gas-phase mononitrotoluenes is crucial for defence, civil security and environmental interests because they are used as taggant for TNT detection and in the manufacturing of industrial compounds such as dyestuffs. In this study, we have succeeded to measure and analyse at high-resolution a room temperature rotationally resolved millimetre-wave spectrum of meta-nitrotoluene (3-NT). Experimental and theoretical difficulties have been overcome, in particular, those related to the low vapour pressure of 3-NT and to the presence of a CH internal rotation in an almost free rotation regime (V =6.7659(24) cm ). Rotational spectra have been recorded in the microwave and millimetre-wave ranges using a supersonic jet Fourier Transform microwave spectrometer (T <10 K) and a millimetre-wave frequency multiplication chain (T=293 K), respectively. Spectral analysis of pure rotation lines in the vibrational ground state and in the first torsional excited state supported by quantum chemistry calculations permits the rotational energy of the molecule, the hyperfine structure due to the N nucleus, and the internal rotation of the methyl group to be characterised. A line list is provided for future in situ detection.
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http://dx.doi.org/10.1002/cphc.201701266 | DOI Listing |
Phys Chem Chem Phys
January 2025
Institute of Molecular Physical Sciences, ETH Zurich, CH-8093 Zurich, Switzerland.
The rovibrational energy-level structures of BaH and BaD in their XΣ electronic ground state have been characterised by pulsed-field-ionisation zero-kinetic-energy photoelectron spectroscopy following resonance-enhanced (1 + 1') two-photon excitation from the BaH/BaD X Σ ground state the E Π (' = 0, 1) intermediate levels. A full set of rovibrational molecular constants for the BaH and BaD ground states has been derived for the first time and the adiabatic ionisation energies of BaH and BaD were determined to be 38 679.96(20) and 38 652.
View Article and Find Full Text PDFFaraday Discuss
September 2023
Université Paris-Saclay, CNRS, Institut des Sciences Moléculaires d'Orsay, 91405 Orsay, France.
The norbornadiene (NBD) molecule, CH, owes its fame to its remarkable photoswitching properties that are promising for molecular solar-thermal energy storage systems. Besides this photochemical interest, NBD is a rather unreactive species within astrophysical conditions and it should exhibit high photostability, properties that might also position this molecule as an important constituent of the interstellar medium (ISM)-especially in environments that are well shielded from short-wavelength radiation, such as dense molecular clouds. It is thus conceivable that, once formed, NBD can survive in dense molecular clouds and act as a carbon sink.
View Article and Find Full Text PDFSensors (Basel)
April 2023
ENEA, Fusion and Technologies for Nuclear Safety Department, C.R. Frascati, Via E. Fermi 45, 00044 Frascati, Italy.
Providing energy from fusion and finding ways to scale up the fusion process to commercial proportions in an efficient, economical, and environmentally benign way is one of the grand challenges for engineering. Controlling the burning plasma in real-time is one of the critical issues that need to be addressed. Plasma Position Reflectometry (PPR) is expected to have an important role in next-generation fusion machines, such as DEMO, as a diagnostic to monitor the position and shape of the plasma continuously, complementing magnetic diagnostics.
View Article and Find Full Text PDFNature
March 2023
The Department of Physics, The James Franck Institute and The Pritzker School of Molecular Engineering, The University of Chicago, Chicago, IL, USA.
Early experiments with transiting circular Rydberg atoms in a superconducting resonator laid the foundations of modern cavity and circuit quantum electrodynamics, and helped explore the defining features of quantum mechanics such as entanglement. Whereas ultracold atoms and superconducting circuits have since taken rather independent paths in the exploration of new physics, taking advantage of their complementary strengths in an integrated system enables access to fundamentally new parameter regimes and device capabilities. Here we report on such a system, coupling an ensemble of cold Rb atoms simultaneously to an, as far as we are aware, first-of-its-kind optically accessible, three-dimensional superconducting resonator and a vibration-suppressed optical cavity in a cryogenic (5 K) environment.
View Article and Find Full Text PDFPLoS One
January 2023
Research Institute of Microwave and Millimetre-Wave Studies, National University of Sciences and Technology (NUST), Islamabad, Pakistan.
In this article, a single-layer metasurface based reflector design is proposed for linear-to-linear cross-polarization conversion in microwave frequency range. The unit-cell of the proposed design consists of triple-arrow resonant design printed on a grounded FR4 substrate. Excellent cross-conversion is achieved over a broad frequency range (8.
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