High resolution infrared and Raman spectra of 13C12CD2: The CD stretching fundamentals and associated combination and hot bands

11 pags.; 4 figs.; 9 tabs.© 2015 AIP Publishing LLC. Infrared and Raman spectra of mono 13C fully deuterated acetylene, 13C12CD2, have been recorded and analysed to obtain detailed information on the C—D stretching fundamentals and associated combination, overtone, and hot bands. Infrared spectra were recorded at an instrumental resolution ranging between 0.006 and 0.01 cm−1 in the region 1800–7800 cm−1. Sixty new bands involving the ν 1 and ν 3 C—D stretching modes also associated with the ν 4 and ν 5 bending vibrations have been observed and analysed. In total, 5881 transitions have been assigned in the investigated spectral region. In addition, the Q branch of the ν 1 fundamental was recorded using inverse Raman spectroscopy, with an instrumental resolution of about 0.003 cm−1. The transitions relative to each stretching mode, i.e., the fundamental band, its first overtone, and associated hot and combination bands involving bending states with υ 4 + υ 5 up to 2 were fitted simultaneously. The usual Hamiltonian appropriate to a linear molecule, including vibration and rotation l-type and the Darling–Dennison interaction between υ 4 = 2 and υ 5 = 2 levels associated with the stretching states, was adopted for the analysis. The standard deviation for each global fit is ≤0.0004 cm−1, of the same order of magnitude of the measurement precision. Slightly improved parameters for the bending and the ν 2 manifold have been also determined. Precise values of spectroscopic parameters deperturbed from the resonance interactions have been obtained. They provide quantitative information on the anharmonic character of the potential energy surface, which can be useful, in addition to those reported in the literature, for the determination of a general anharmonic force field for the molecule. Finally, the obtained values of the Darling–Dennison constants can be valuable for understanding energy flows between independent vibrations.The Bologna authors acknowledge the Università di Bologna and the financial support of the Ministero dell’ Istruzione dell’Università e della Ricerca (PRIN 2012 “Spettroscopia e Tecniche computazionali per la ricerca Astrofisica, atmosferica e Radioastronomica”). D.B. and R.Z.M. acknowledge the financial support of the Ministry of Economy and Competitiveness through Research Grant No. FIS2012-38175.Peer Reviewe

Perturbation allowed transitions in the infrared spectrum of 14ND3: determination of the K-dependent parameters in the ground state

Accurate values of the K-dependent constants (i )C, (i )DK and (i )HK in the ground state of 14ND3, with i = s, a, have been determined for the first time thanks to the detections of \u2018perturbation allowed\u2019 transitions in the \u3bd1, \u3bd2, \u3bd3, \u3bd4 and 2\u3bd4 infrared bands. The rotation\u2013inversion and inversion transitions from the literature, together with 7289 ground state combination differences from the infrared vibration\u2013rotation\u2013inversion transitions have been simultaneously analysed. The adopted rotation\u2013 inversion Hamiltonian includes distortion constants up to the eighth power and thek=\ub13 andk =\ub16 interaction terms. Precise values of the diagonal constants and of thek=\ub13 interaction coefficients have been obtained. Accurate values of the ground state term values have been calculated for both s and a levels up to J = 21

The infrared spectrum of 13C2HD between 100 and 2100 cm-1: a global fit of the bending states up to v4+v5 =3.

International audienceThe fundamental bending ro-vibrational bands and a number of overtone, combination and hot bands of 13C2HD have been recorded by Fourier transform infrared spectroscopy (FTIR) in the range 450-2100 cm-1. In addition, the v5-v4 band, centred at 164.65 cm-1, has been identified in a spectrum of 13C2H2. The data have been analysed simultaneously in a global fit that has provided very accurate rotational and vibrational parameters for the ground and for the vibrationally excited states

Assesment of health related quality of life in elderly nursing home residents in Heraklion

Καθώς το προσδόκιμο επιβίωσης επεκτείνεται, παράλληλα αυξάνεται και ο πληθυσμός των ηλικιωμένων. Σήμερα το 10% των Ευρωπαίων ηλικιωμένων ζει σε ιδρύματα κλειστής περίθαλψης και έχει αυξημένες ανάγκες φροντίδας. Η διερεύνηση λοιπόν της Σχετιζόμενης με την Υγεία Ποιότητα Ζωής (Σ.Υ.Π.Ζ.) των ηλικιωμένων που ζουν σε ιδρύματα, παρουσιάζει ιδιαίτερο ενδιαφέρον για τη δημόσια Υγεία.. Σκοπός της μελέτης αυτής είναι η αξιολόγηση της Σ.Υ.Π.Ζ. των τροφίμων του γηροκομείου-πτωχοκομείου, Ηρακλείου Κρήτης, ως προς τους τομείς: κινητικότητας, πόνου, ύπνου, ενεργητικότητας, συναισθηματικών αντιδράσεων και κοινωνικής απομόνωσης, ώστε να γίνει κατανοητό σε ποιους από τους παραπάνω τομείς της Σ.Υ.Π.Ζ., θα ήταν ωφέλιμο για τους ηλικιωμένους να γίνουν παρεμβάσεις βελτίωσης. Η μελέτη έλαβε χώρα από 3/2013 έως 3/2014 και πραγματοποιήθηκε στο Πτωχοκομείο – Γηροκομείο Ηρακλείου Κρήτης. Οι ένοικοι του ιδρύματος είναι 116 άτομα, τα οποία προσεγγίστηκαν στο σύνολο τους για το σκοπό της μελέτης και τελικά συναίνεσαν να συμμετέχουν 92 άτομα. Αποτελεί μελέτη περίπτωσης στην οποία ακολουθείται μεθοδολογία συγχρονικής μελέτης. Για τη συλλογή δεδομένων χρησιμοποιήθηκε το N.H.P. (Nottingham Health Profile) ένα διεθνώς αποδεκτό, ερωτηματολόγιο το οποίο έχει κριθεί κατάλληλο για την χρήση του σε ιδρυματιζόμενους ηλικιωμένους. Δημόσια Υγεία & Διοίκηση Υπηρεσιών Υγείας Τμήμα Ιατρικής – Πανεπιστήμιο Κρήτης 2 Από τα αποτελέσματα της μελέτης τα προβλήματα υγείας έδειξαν να επιβαρύνουν τους επιμέρους τομείς. Συγκεκριμένα τα άτομα με καρδιαγγειακά προβλήματα έχουν στατιστικώς σημαντικά χειρότερη ποιότητα ζωής στους τομείς της ενέργειας και του πόνου. Τα άτομα με έκπτωση κινητικότητας έχουν επίσης στατιστικώς σημαντικά χειρότερη ποιότητα ζωής στους τομείς της ενέργειας, του πόνου, τις συναισθηματικές αντιδράσεις και βεβαίως της κινητικότητας. Τα άτομα με έκπτωση ακοής και όρασης έχουν στατιστικώς σημαντικά χειρότερη ποιότητα ζωής στους τομείς της κινητικότητας και της ενέργειας αντίστοιχα. Συνολικά τα άτομα με ένα ή περισσότερα προβλήματα υγείας έχουν στατιστικά σημαντικά χειρότερη ποιότητα ζωής στα πεδία της ενέργειας του πόνου και της κινητικότητας. Τέλος, στατιστικά σημαντική θετική συσχέτιση παρατηρήθηκε μεταξύ της ηλικίας και των πεδίων ενέργειας και κινητικότητας και μεταξύ των ετών διαμονής στο ίδρυμα και των πεδίων του πόνου και του ύπνου, των οποίων τα σκορ αυξανόμενα δείχνουν χαμηλότερο επίπεδο Σ.Υ.Π.Ζ. βάση του N.H.P., στους αντίστοιχους τομείς. Συμπερασματικά, τα αποτελέσματα έδειξαν ότι τα υψηλότερα επίπεδα δυσφορίας της Σ.Υ.Π.Ζ. αντιστοιχούν στον τομέα της ενέργειας, ενώ ακολουθούν η κινητικότητα και οι συναισθηματικές αντιδράσεις. Παρατηρείται ότι ο ύπνος, η κοινωνική απομόνωση και τέλος ο πόνος παρουσιάζουν τα χαμηλότερα επίπεδα δυσφορίας. Η μελέτη αυτή δίνει μια χρήσιμη εκτίμηση της Σ.Υ.Π.Ζ. των ηλικιωμένων ενοίκων του ιδρύματος, και των παραγόντων που την επηρεάζουν. Συμβάλει επίσης στην αποσαφήνιση των κατευθύνσεων στις οποίες ενδείκνυνται να γίνουν στοχευμένες παρεμβάσεις βελτίωσης της Σ.Υ.Π.Ζ. των ενοίκων, ενώ παράλληλα αποτελεί ένα ακόμα οδηγό σημείο για συναφείς μελέτες στον Ελλαδικό χώρο και συγκρίσεις με δεδομένα του εξωτερικού.While the life expectancy is increased, the population of the elderly people is also increased. Nowadays, the 10% of the European elderly people have increased care requirements and institutional care is being provided to them. Thus, the investigation of the Health Related Quality of Life (H.R.Q.L.) of the institutionalized elderly is of great interest in terms of Social Care. The aim of the current study is the evaluation of the H.R.Q.L. of the institutionalized elderly people living in the almshouse of Heraklion. The study focused in the field of the mobility, pain, sleep, activity, emotional reactions and social isolation, in order to be better understood the potential improvement of the elderly’s life upon interventions of the referred circumstances of H.R.Q.L. The study was carried out in the almshouse-nursing home of Heraklion of Crete (March 2013-March 2014). For the purpose of the study all the residents (116) of the Institution, were asked to participate in the study and 92 of them gave their consent. A cross-sectional analysis was used for the purposes of the current case study. For the collection of the data, the Nottingham Health Profile (NHP) questionnaire was used. NHP questionnaire is an internationally recognized quality of life questionnaire for its appropriateness to be used to institutionalized elderly. According to the results of this study, health related problems affect negatively the issues studied that were mentioned above. In particular, people with cardiovascular diseases have statistically worse quality of life in terms of activity and feeling of pain, than people who do not have cardiovascular diseases. The individuals with mobility problems not only have decreased H.R.Q.L. in terms of mobility, activity and feeling of pain, but also in terms of emotional reactions. On the other hand, the individuals with hearing or vision problems have decreased quality of life in terms of mobility and activity, respectively. It was also concluded, that individuals with one or more health related problems have decreased H.R.Q.L in terms of activity, feeling of pain and mobility. Last but not least, it was also statistically implied a positive correlation between the age of the elderly and the fields of activity, feeling of pain, sleep and time of residence in the institution. When these parameters were increased, according to the results derived from the use of the NHP, a decreased level of H.R.Q.L. was observed. As a conclusion, it can be said, that the highest H.R.Q.L. levels were observed in the people with activity problems followed by individuals with mobility and emotional reaction problems. It was also observed, that sleep, social isolation and feeling of pain contribute to a lesser extent to the discomfort of the elderly. The current study is a useful tool for the evaluation of the H.R.Q.L. of the residents participated in the study and also of the factors influence the H.R.Q.L. This study also contributes to a better understanding of the fields of improvement that can have beneficial effects to the H.R.Q.L. of the elderly. In addition, the current study can be a useful tool for future relevant studies in Greece or abroad. Ke

The far infrared spectrum of trans-formic acid: An extension up to 175 cm-1

The far infrared spectrum of HCOOH was recorded at a high resolution (0.0009cm -1) and long path length (72m) at the far-infrared beamline, Canadian Light Source. Spectra were recorded in the region 62-300cm -1, showing transitions from the trans-isomer.Ground state rotational transitions with K a up to 30, were identified up to 175cm -1, extending the observation reported in the literature. A total of 3321 transitions were assigned and fitted together with previous (4149) published data. An improved set of rotational parameters was obtained adopting the symmetric top (A) reduction of the rotational Hamiltonian in the I r representation. The newly measured far infrared transitions allowed the determination of all diagonal and off diagonal 8th order parameters L and of some of the diagonal 10th order parameters P. © 2012 Elsevier Ltd.SCOPUS: ar.jinfo:eu-repo/semantics/publishe

“Green-earths”: vibrational and elemental characterisation of glauconites, celadonites and historical pigments

“Green-earths” have been employed since antiquity and are still used as pigments in the creation of artworks. The minerals responsible for the colour belong to four groups: (i) the clayey micas celadonite and glauconite, undoubtedly the most common; (ii) smectites; (iii) chlorites; (iv) serpentines1. Mineralogical analyses in the field of cultural heritage are rare, and often limited to the identification of the generic class “green-earth”. A multi-disciplinal study of minerals coming from the historical mining localities, besides to clarify the mineralogy of traditional green-earths, could support the correct identification of the mineralogical species employed in the artworks, and could provide a valid tool for the study of the pigments’ origin. This work presents a preliminary study on some raw minerals (glauconite, celadonite, Fe-celadonite) characterized by multi-technical approach. In particular, the attention has been focused on the possible distinction between celadonite and glauconite by μ-Raman, μ-IR and SEM-EDS techniques. Concerning μ-Raman spectroscopy, we identified the characteristic bands of minerals, considering the internal variations in the single species, and distinguishing them from spurious structures, heating effects, dependence on wavenumber of exciting source. A similar procedure has been followed with μ-IR spectroscopy. Vibrational analyses have been correlated with elemental analyses, thanks to the coupled instrument SEM-EDS-SCA that lets to collect EDS and Raman spectra on the same microscopic area. Besides pure minerals, archaeological samples and commercial “green earths” have been analyzed. 1. C.A. Grissom, “Green Earth”, in Artists’ Pigments, Vol. 1, (1986), Ed. R.L. Feller, Cambridge University Press, U

The far-infrared spectrum of 12C2HD

The infrared spectrum of 12C2HD has been studied using synchrotron radiation at the far-infrared beam line, Canadian Light Source, Saskatoon, Canada. The spectra were recorded at a resolution of 0.00096 cm-1 in the 60 to 360 cm-1 range using a Bruker IFS 125 Fourier transform spectrometer. In total, 821 vibration rotation lines were observed and assigned to the P(J), Q(J) and R(J) transitions of the v 5←v4 difference band and associated hot bands with J up to 35 and (v4+v5) up to 3. These new transitions were analysed together with 4518 transitions involving bending states with (v I+v5) up to 3 available in the literature. The spectroscopic parameters obtained from the fit reproduce 4909 transitions with a standard deviation of 0.00028 cm-1. The v5←v 4 bands of 13CH12CD and 12CH 13CD were also detected and analysed. © 2011 Taylor & Francis.SCOPUS: ar.jinfo:eu-repo/semantics/publishe