Analysis of line positions of the ν<SUB>6</SUB> band of <SUP>35</SUP>ClNO<SUB>2</SUB> around 411 cm<SUP>-1</SUP>

International audienceThe first investigation of the ν6 band of the 35ClNO2 isotopic species of nitryl chloride, located at 410.11824 (± 0.00007) cm-1 has been performed using a high resolution (0.00102 cm-1) Fourier transform spectrum recorded at the SOLEIL synchrotron source. This B-type band is rather weak but a long optical path was used and, during the spectrum recording, the nitryl chloride sample was kept at low temperature (221 K) in the optical cell. In this way, the rather strong ν2-ν3 difference band located at 422.6 cm-1, observed at 296 K during a previous investigation of the far infrared region [Orphal J, Morillon-Chapey M, Klee S, Mellau GC, Winnewisser M. J Mol Spectrosc 1998;190:101-6], and interfering with observation, could be strongly reduced. This first assignment of the ν6 band of 35ClNO2 was pursued up to high J and Ka quantum number values, J = 79 and Ka = 37. The ν6 band (expected to be of B-type) has a clearly unusual line intensity pattern, since the P branch is about twice as strong as the R-branch. Since the (weak) ν6 band is located close by to the strong A-type ν3 band located at 370 cm-1 [Anantharajah A, Kwabia Tchana F, Manceron L, Orphal J, Flaud JM. J Quant Spectrosc Radiat Transf 2020; 253:107,078], one could reasonably expect that the ν6 band borrows part of its intensity through the existence of a C-type Coriolis resonance that couples together the 61 ⇔ 31 interacting energy levels. However, during the 61 energy level computation, we could not evidence such resonance, and only a classical Watson's type A-type reduced rotational Hamiltonian, involving a single upper state, was used for this calculation

New analysis of line positions of the ν3 bands of 35ClNO2 and 37ClNO2 around 370 cm−1

International audienceA new investigation of the ν3 bands of 35ClNO2 and 37 ClNO2, located around 370 cm−1 has been performed using a high resolution (0.00102 cm−1) Fourier transform spectrum recorded at SOLEIL with highly improved experimental conditions as compared to previous work [Orphal J, Morillon-Chapey M, Klee S, Mellau GC, Winnewisser M. J Mol Spectrosc 1998;190:101–6]: (i) the use of synchrotron radiation which resulted in a better signal-to-noise ratio; (ii) a resolution twice better; (iii) a low temperature (221 K) with an optical path length of 8.16 m, allowing low pressure (0.025 hPa) in the sample leading to a well resolved spectrum. As a consequence, significantly better results than previously were obtained. Thanks to the new experimental conditions, the line assignments were pursued up to higher J and Ka quantum number values, J = 83 and Ka = 44. For both isotopomers, a total of 6331 transitions were reproduced with a root-mean-square deviation of 2 × 10−4 cm−1 using a Watson-type A-reduced Hamiltonian. Improved rotational and centrifugal distortion constants for the ν3 fundamental bands of 35ClNO2 and 37 ClNO2 have been determined. The band centers are 370.1510773(92) cm−1 for the ν3 fundamental band of 35ClNO2 and 364.5218094(96) cm−1 for the ν3 fundamental band of 37ClNO2. The synthetic line list obtained in this study could be interesting for future measurements of ClNO2 in the atmosphere, e.g. using the new space mission FORUM which is one of the concepts chosen by ESA to be developed further and which opens up a new window (150–1400 cm−1 ) for understanding and quantifying the radiative processes, as well as air quality and pollution effect

Integrated band intensities and absorption cross sections of phosgene (Cl2CO) in the mid-infrared at 199, 250 and 300 K

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High-resolution analysis of the 12.6 µm spectral region of the nitryl chloride ClNO2 molecule

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Acceptability and Feasibility of an Evidence-Based Requisition for Bone Mineral Density Testing in Clinical Practice

Introduction. The purpose of this study is to understand the experience of primary care providers (PCPs) using an evidence-based requisition for bone mineral density (BMD) testing. Methods. A qualitative descriptive approach was adopted. Participants were given 3 BMD Recommended Use Requisitions (RUR) to use over a 2-month period. Twenty-six PCPs were interviewed before using the RUR. Those who had received at least one BMD report resulting from RUR use were then interviewed again. An inductive thematic analysis was performed. Results. We identified four themes in interview data: (1) positive and negative characteristics of the RUR, (2) facilitators and barriers for implementation, (3) impact of the RUR, and (4) requisition preference. Positive characteristics of the RUR related to both its content and format. Negative characteristics related to the increased amount of time needed to complete the form. Facilitators to implementation included electronic availability and organizational endorsement. Time constraints were identified as a barrier to implementation. Participants perceived that the RUR would promote appropriate referrals and the majority of participants preferred the RUR to their current requisition. Conclusions. Findings from this study provide support for the RUR as an acceptable point-of-care tool for PCPs to promote appropriate BMD testing

Acceptability and Feasibility of an Evidence-Based Requisition for Bone Mineral Density Testing in Clinical Practice

Introduction. The purpose of this study is to understand the experience of primary care providers (PCPs) using an evidence-based requisition for bone mineral density (BMD) testing. Methods. A qualitative descriptive approach was adopted. Participants were given 3 BMD Recommended Use Requisitions (RUR) to use over a 2-month period. Twenty-six PCPs were interviewed before using the RUR. Those who had received at least one BMD report resulting from RUR use were then interviewed again. An inductive thematic analysis was performed. Results. We identified four themes in interview data: (1) positive and negative characteristics of the RUR, (2) facilitators and barriers for implementation, (3) impact of the RUR, and (4) requisition preference. Positive characteristics of the RUR related to both its content and format. Negative characteristics related to the increased amount of time needed to complete the form. Facilitators to implementation included electronic availability and organizational endorsement. Time constraints were identified as a barrier to implementation. Participants perceived that the RUR would promote appropriate referrals and the majority of participants preferred the RUR to their current requisition. Conclusions. Findings from this study provide support for the RUR as an acceptable point-of-care tool for PCPs to promote appropriate BMD testing.Peer Reviewe