Studies on lanthanoid sulphites: V. thermal decomposition of cerium and neodymium sulphites

The preparation and thermal behaviour of Ce₂(SO₃)₃· 3H₂O, Nd₂(SO₃)₃·6H₂O and Nd₂(SO₃)₃ have been studied. Cerium sulphite undergoes first dehydration which is followed by decomposition to CeO₂ in the temperature range 500 – 850 °C. The decomposition involves two intermediate phases both in air and nitrogen. According to the TG curves the phases in air are Ce₂(SO₃)₂SO₄ and Ce₂SO₃(SO₄)₂. In nitrogen, Ce₂O₂SO₄ was identified and this provides a synthetic route to cerium oxysulphate.Neodymium sulphite decomposes to Nd₂O₂SO₄ when heated in air or in nitrogen up to 950°C. The intermediate levels observed do not correspond to single phases, and the reaction mechanism depends strongly on the experimental conditions.     

Inclusion of non-bonded interactions in calculations of vibrational frequencies

The consequences of including non-bonded interactions in the calculation of vibrational frequencies are examined by comparing the results of the consistent force field method (CFF)and a conventional spectroscopic force field calculation method. Sample calculations are given, using ethane as a test case. It is shown that the CFF method is more practical for the calculation of non-bonded interaction parameters for large molecules, provided that the molecular potential energy is first minimized.     

Torsional interaction in 2-haloethanols: infrared data,ab initio results and treatment of a two-dimensional model

The splittings of the hydroxyl torsional absorption bands observed in the gas phase IR spectra of 2-haloethanols, XCH₂-CH₂-OH are reported for X = Cl, Br, I. The satellite absorptions, assigned to excited states of the skeletal torsion, appear on the low-frequency side of the fundamental, possibly because of weakening of the internal hydrogen bond. The torsional potential surface is investigated by calculations using a two-dimensional model based on the known experimental data for the compound with X = Cl, and by ab initio calculations for the haloethanols with X = F and X = Cl. Models based on the assumption of pure torsion and simple dipole-dipole or central force interaction terms failed to reproduce the observed data for 2-chloroethanol, but good agreement was obtained after local modification of the potential surface interpolated from the ab initio calculations. The results may help devise the phenomenological theory of potential energy needed for quantitative study of the internal hydrogen bond.     

Quality of Life in Dysphonic Patients

Voice disorders can affect social life. Dysphonic patients report symptoms of psychological distress as a direct consequence of their dysphonia. It is assumed that their health-related quality of life (HRQL) is reduced. The purpose of this study was to find out whether changes of HRQL depend on the kind of voice disorder (organic or functional) and on the sex of the person affected. A total of 108 adult patients took part in the study, and patients with malignancies were excluded. Test persons were asked to complete the SF-36 questionnaire on their health-related quality of life without prior information about their individual diagnosis. The results of this study show that voice disorders significantly influence patients' HRQL. There are no statistically significant differences between patients suffering from organic and functional voice disorders or between dysphonic women and men. When comparing the results obtained in this study with those in the literature, surprisingly, it seems that the manner in which a person experiences a voice disorder depends on the individual cultural background. Patients with functional voice disorders have similar reduction in HRQL as those with organic voice disorders. HRQL in dysphonic women does not differ from the one in dysphonic men. The results allow for the conclusion that changes of HRQL do not depend on the kind of voice disorder and not on the sex of the person affected.     

Molecular mobility of spin-labelled terephthaloyl chloride and 1,10-decanediol copolymer in solution

Intramolecular mobility of spin-labelled terephthaloyl chloride and 1,10-decanediol copolymer in solution was investigated using a polymer in which the label was rigidly attached to the main chain methylene groups. Correlation times and effective segmental dimensions were measured, as were the frequency and amplitude of the high-frequency torsional vibrations of the main chain monomer units. The amplitude of high-frequency torsional vibrations was shown to increase with increasing temperature.     

关于SF－环的几点注记

本文中，我们证明了如下主要结果：Ⅰ　对于环Ｒ，下面条件是等价的：（１）Ｒ是Ａｒｔｉｎ半单环；（２）Ｒ是左ＳＦ－环，且Ｒ满足特殊右零化于降链条件；（３）Ｒ是左ＳＦ－环和Ｉ－环，且Ｒ￣Ｒ具有有限Ｇｏｌｄｉｅ维数。Ⅱ对于环Ｒ，下面条件是等价的：（１）Ｒ是ＶｏｎＮｅｕｍａｎｎ正则环；（２）Ｒ是左ＳＦ－环，且每个苛异循环左Ｒ－模的极大子模是平坦的。     

Vibrational spectroscopic investigations of snse8-n molecules

The fundamental vibrations of 13 cyclic S_nSe_8-n (n = 7—2) molecules have been calculated using a modified Urey—Bradley force field with 9–14 independent force constants whose values have been adapted from those of Se₈ and S₈. Calculated wavenumbers are compared to those obtained by Raman spectroscopy for sulfur—selenium phases prepared by recrystallizing quenched molten mixtures of the elements as previously described. Agreement between the observed spectra and calculated wavenumbers is closest by assuming the existence of selenium—selenium bonds and the absence of isolated selenium atoms in S_nSe_8-n molecules. It is assumed that sulfur—selenium phases are mixed crystals with the following components in varying concentrations: 1,2-S₆Se₂, 1,2,3-S₅Se₃, 1,2,3,4-S₄Se₄, 1,2,5,6-S₄Se₄, 1,2,3-S₃Se₅ and 1,2-S₂Se₆. The presence of S₈ and Se₈ in some of the phases is indicated by the Raman spectra.     

Studies on lanthanoid sulphites: Part IV. Thermal decomposition of erbium sulphite trihydrate under various experimental conditions

Thermal behaviour of Er₂(SO₃)₃· 3H₃O has been studied by means of TG, DTG, DTA, DSC and EGA techniques. Experimental conditions were also varied, $\text{viz.}$ sample size, heating rate and the atmosphere.The dehydration starts slowly above 150°C but the release of water is rapid around 250°C. SO₂ gas is evolved slowly and simultaneously with H₂O. The anhydrous sulphite is formed below 300°C after which it decomposes through several reactions accompanied by a release of mainly SO₂, but also a small amount of SO₃ near 650°C. In air, there is a clear plateau in the TG curve between 600 and 800°C; the weight loss involved depends strongly on the sample size and heating rate, however. A plausible explanation for the plateau is the formation of a mixture of Er₂(SO₄)₃, Er₂O(SO₄)₂ and Er₂O₂SO₄. The next plateau around 900 – 1000°C corresponds to Er₂O(SO₄)₂ and Er₂O₂SO₄. In nitrogen atmosphere, the first plateau after the anhydrous sulphite appears later in the weight scale as compared to air. Although the position of the plateau corresponds to the sesquisulphide, it is according to X-ray diffraction results a mixture of Er₂O₂(SO₄) and Er₂O₃. In both air and nitrogen, the final reaction step above 1000°C is the formation of Er₂O₃.     

Patient Versus Partner Perception of Voice Handicap

The primary purpose of this study was to compare patient's and communication partner's perceptions of handicap secondary to dysphonia. A secondary purpose was to compare patient health-related quality of life (HRQOL) to that of speakers with normal voice. Participants were 20 adults (mean age=69.15 years) with dysphonia and their communication partners. Patients completed the Voice Handicap Index (VHI), a questionnaire of self-perceived voice handicap, and the Short-Form 36 (SF-36), a general health questionnaire. Partners completed the Voice Handicap Index-Partner (VHI-P), a questionnaire derived from the VHI for this pilot study, to gauge partner perception of voice handicap. Patients in this study viewed themselves as only moderately handicapped by their dysphonia and their partners were in close agreement. Patients and their partners were also in close agreement on each of three VHI subscales (physical, functional, and emotional), and in all cases the physical domain was perceived by both patients and their partners to be most handicapped. Patients had lower SF-36 mean scores than those of persons with normal voice from the general U.S. population on scales assessing physical functioning, physical role, general health, vitality, social functioning, emotional role, and mental health. The results of this study are consistent with previous studies examining patient-partner agreement, which consider proxy ratings to be a useful alternative or collaborative source of patient's self-perception. Further research regarding the reliability of patient and partner agreement is necessary to most effectively assess and manage patients with dysphonia.