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Advanced care planning bedside tool and order set. Pdf. file that outlines the advanced care planning â goals of careâ order set and a document that is provided to patients and their families to assist with decision making and thoughtful advanced care planning. (PDF 2053 kb)

Infrared and Raman spectra in the gas phase are reported for trimethoxyborane, B(OCH 3 ) 3 , and its 13 C 3 and d 9 isotopomers. Some liquid phase Raman data were also obtained. Quantum-chemical (QC) studies of structure and force field have been made with B3LYP and MP2 models. These studies highlight the change in configuration of the methyl groups with change in basis set, within the C 3 h point group. Scaled QC force fields together with the new spectra enable assignments of fundamental bands to be improved. A Fermi resonance involving ν 12 is examined. The difference in strength between the two types of C–H bond in each methyl group is reckoned to be rather less than that deduced earlier from IR spectra of B(OCHD 2 ) 3 . This conclusion is supported by QC data for dimethylether. MP2 estimates of certain interaction force constants are superior to those from B3LYP calculations. Abnormal scale factors for the torsional motion involving the O–B–O–C system identify deficiencies in the QC models employed.

Raman spectra of the gaseous phase of SnCl 2 are reported over the temperature range 666 K to 1047 K. The development of a furnace designed for optical studies at temperatures up to 1100 K is described. Agreement with previous Raman studies is excellent and in addition new features are observed which are attributed to the dimeric species Sn 2 Cl 4 . Extensive force constant calculations have been carried out to establish the structure of this molecule. The results show that the dimer molecule has C s -symmetry with one bridging chlorine atom. The enthalpy of formation of Sn 2 Cl 4 has been calculated using second-law methods, and is in agreement with a previous result from mass spectrometry. Predicted vibrational band wavenumbers from force constant calculations are used to calculate values of the heat capacity C p ⦵ , the enthalpy H T ⦵ - H 298 ⦵ , and the entropy S T ⦵ - S 0 ⦵ of Sn 2 Cl 4 from 0 K to 6000 K. The molten phase of SnCl 2 has also been examined.

The vapour-phase Raman spectrum of an alkali is reported. Bands attributable to sodium iodide monomers (240 cm−1) and dimers (204 and 224 cm−1) are present at 1084 K. The intensity ratios of the bands reflect the relative abundance of the species in the vapour phase at this temperature. Normal coordinate analysis was carried out to determine the position of the low-frequency Raman-active band. The results are compared with those of previous calculations. Values for the heat capacity,Cp0, enthalpy,HT0-H2980, and entropy,ST0-S00, of gaseous Na2I2 have been calculated by the methods of statistical mechanics.

The intensity of the ν(NO) stretching band of NO+2 at Δ ν = 1400 cm−1 in the Raman spectra of nitric acid—water—sulphuric acid mixtures has been studied to determine nitronium ion concentrations over the temperature range 293–313 K. The nitronium ion concentration in these mixtures was found to decrease with increase in temperature. The nitrating species for acid mixtures used in mono- and di-nitrations is consistent with nitronium ion, NO+2, but at a typical acid concentration of less than H2SO4:HNO3:H2O = 30:15:55 mole % used in industrial mononitrations, there is no spectroscopic evidence for the presence of NO+2. It is suggested that the nitrating species in these weaker acid solutions is he acid hydrate, H2NO+3, which is a weaker nitrating species than NO+2.

Infrared and Raman spectra have been obtained in the gas phase for the species M( 12 CH 3 ) 2 , M( 13 CH 3 ) 2 , M( 12 CD 3 ) 2 and M( 13 CD 3 ) 2 , where M  Zn, Cd and Hg. All but one of the skeletal bending modes are observed directly in the infrared. 13 C frequency shifts confirm the assignment of a number of combination and overtone bands, including the 1300 cm −1 bands of Zn(CH 3 ) 2 and Cd(CH 3 ) 2 which arise from ν 10 + ν 14 . Infrared spectra in the 1400–1500 cm −1 region are difficult to interpret but the evidence points to both the δ as CH 3 modes lying near 1445 cm −1 . A number of Fermi resonances affecting δ s CD 3 levels are identified in the d 6 species. Some features of the ν as CH 3 bands can be explained in terms of existing free internal rotor theory. Observed values of 13 C frequency shifts are generally in good agreement with those from previous scaled ab initio calculations. There is an urgent need for high resolution studies of jet-cooled samples.

Force constant calculations have been carried out for Ni(PBr3)4 using a simple valence force field with interaction constants. The force constant values are compared for the coordinated and free ligand and also with k(NiP) stretching in the series of molecules Ni(PX3)4 where X=F, Cl, Me. The k(NiP) stretching force constant in Ni(PBr3)4 is much lower than its corresponding values for other members of the series. This is discussed in relation to the observed experimental instability of the compound and the electronegativities of the substituents X in PX3.

Raman spectroscopic studies of silicon (IV) fluoride and tetraethylammonium chloride in chloroform and nitromethane solutions confirm the existence of the hitherto unreported chlorotetrafluorosilicate (IV) ion, SiF 4 Cl − . The observed vibrational wavenumbers for this new species are compared with those calculated using an SVFF approximation based on the SiF 2− 6 and SiCl 4 species, and with the isoelectronic molecule PF 4 Cl.

The potassium (K), sodium (NA), calcium (CA), and magnesium (MG) salts of p-aminosalicylic acid were obtained, and their thermal behavior was characterized by means of differential scanning calorimetry (DSC) and thermogravimetric analysis (TG). Their crystal and molecular structures were determined by single-crystal X-ray diffraction after powder patterns had shown them to be nonisomorphous. Different degrees of hydration were observed for the solid salts, and an assessment of hydrate stability to dehydration was made from thermogravimetric studies. The onset temperature of dehydration (Tt) of each salt varied within the series and exhibited correlation with X-ray determined structure. The observed onset of dehydration of MG and CA was higher than that of NA and is consistent with stronger ion-dipole interactions for the divalent salts. Crystallographic determination of the bond lengths between the metal ion and the water oxygens were 2.4 and 2.9 A for NA, between 2.0 and 2.1 A for MG, and 2.4 A for CA. The open nature and presence of a channel feature in the structure of the sodium salt may have facilitated escape of water molecules from the crystal. Particle presentation (e.g., size, crystallinity) was also shown to affect dehydration behavior.

Force constants were determined for the C8, C10, C12 and C14 series ofn-alkanes C n H2n + 2 using an approximate SVFF calculation and observed LAM = 1 wave numbers. In this calculation the hydrogen atoms were neglected and only the carbon backbone chain and terminal atoms were considered; this was valid since only low-frequency vibrations were under consideration. Using force constant transfer, the wavenumbers of the LAM = 1 accordion modes for the analogous α-Cn H2n + 1 X and α,ω-Cn H2nX2 species, where X = C1, Br or I were calculated. For α-chloroalkanes and α,ω-dichloroalkanes, them = 1 accordion modes are calculated to be in the 220–130 cm−1 and 200–120 cm−1 regions, respectively. For the bromo- and iodo-analogues them = 1 accordion modes are calculated to be in the 200–100 cm−1, 150–90 cm−1 and in the 170–100, 135–80 cm−1 regions, respectively.

The intensities of the bands in the Δν = 450 to 500 cm−1 region of liquid boron(III) chloride, characteristic of v(BCl) stretching as a function of temperature in the range 234–287 K are used to determine the average enthalpy of boron—chloride bond formation for the dimer species, (BCl3)2. Intensity measurements show that liquid boron(III) chloride contains 2% and 11% of dimer species at 287 K and 234 K, respectively, and the average ΔH° = −0.52 ± 0.08 kJ mol−. Extrapolation indicates that liquid boron(III) chloride will contain about 20% dimer molecules near its freezing point at 166 K. The ΔH° value for dimer formation is discussed in terms of the molecular interaction.

Background and aims—To determine whether the inclusion of 20 g free glutamine as part of the nitrogen source of parenteral feeds reduces length of hospital stay or mortality. Methods—In a randomised, double blind, controlled trial in 168 patients clinically accepted for parenteral nutrition, standard feeds were compared with feeds in which 3.8 g of the total nitrogen was replaced with the equivalent 20 g glutamine. A minimum of 11 g nitrogen/ day was used in all patients. Daily intakes of energy and nitrogen were determined using a validated computer protocol and were similar for the two groups. All feeds included trace elements, vitamins, electrolytes, and minerals. Results—A total of 85 patients received a median of eight (interquartile range 5‐13) daily feeds containing glutamine while 83 received a median of eight (5‐15) standard feeds. No diVerence between groups was detected for infective complications. Twenty control patients and 14 who had received glutamine died during their hospital stay (NS). Median length of stay was 32 (23‐52) days on glutamine, which was not significantly diVerent from the control value of 35 (25‐55) days. Glutamine was associated with a significant (p

The potassium (K), sodium (NA), calcium (CA), and magnesium (MG) salts of p-aminosalicylic acid were obtained, and their thermal behavior was characterized by means of differential scanning calorimetry (DSC) and thermogravimetric analysis (TG). Their crystal and molecular structures were determined by single-crystal X-ray diffraction after powder patterns had shown them to be nonisomorphous. Different degrees of hydration were observed for the solid salts, and an assessment of hydrate stability to dehydration was made from thermogravimetric studies. The onset temperature of dehydration (Tt) of each salt varied within the series and exhibited correlation with X-ray determined structure. The observed onset of dehydration of MG and CA was higher than that of NA and is consistent with stronger ion-dipole interactions for the divalent salts. Crystallographic determination of the bond lengths between the metal ion and the water oxygens were 2.4 and 2.9 A for NA, between 2.0 and 2.1 A for MG, and 2.4 A for CA. The open nature and presence of a channel feature in the structure of the sodium salt may have facilitated escape of water molecules from the crystal. Particle presentation (e.g., size, crystallinity) was also shown to affect dehydration behavior.

Vapour-phase Raman spectra of NbCl5 at temperatures between 418 and 580 K and of 1:1, 1:2 and 2:1 mixtures of NbCl5 and SnCl2 at temperatures between 359 and 676 K have been recorded. Several features have been observed in spectra from the mixtures which do not correspond to those known for the pure components and these vibrational bands have been assigned to the vapour-phase complex NbSnCl7. Normal coordinate analysis has been carried out for the proposed structure of the complex. Complexation of the tow components is shown to enhance the volatility of NbCl5 by a factor of 3.75 at 420 K. SnCl2 is shown to be more volatile when complexed with NbCl5 than in its pure phase. Predicted vibrational band wavenumbers from force constant calculations, combined with observed wavenumbers have been used to calculate values for the heat capacity, C°p, the enthalpy, H°T–H°298, and the entropy, S°T–S°O, of NbSnCl7(g) from 0 to 6000 K.

Quantitative Raman spectroscopic measurements of the intensity of the ν(NO) symmetric stretching band of NO2+ in aqueous solutions of nitric and sulfuric acid mixtures have been carried out over the temperature range 293–313 K. From the spectroscopic data it was found that the NO2+ species concentration decreased with an increase in temperature. Equilibrium constants for the reaction HNO3+ 2H2SO4⇌ NO2++ H3O++ 2HSO4– were determined at 293 and 313 K and the average enthalpy of NO2+ formation was found to be ΔH=–25 ± 5 kJ mol–1.

A novel green pigment from the fungus Hypoxylon fragiforme(Pers.: Fries) Kickx has been identified as 1,3,9,11-tetrahydroxy-6-hydroxymethyldibenzo[b,h]xanthen-8-one and named hypoxyxylerone; the X-ray crystal structure of a tetraacetate derivative has been determined.

Examples of a class of glassy biomaterials with chemical composition similar to that of bone have been prepared by heating mixtures of calcium metaphosphate and hydroxylapatite. The Raman and infrared spectra of these materials are reported and discussed in relation to glass structure, which is of the linear polymeric type with chain length depending on the molar ratio R=[CaO]/[P2O5]. The products of the thermal decomposition of hydroxylapatite have also been characterized spectroscopically.

The Raman spectra of the cyclohexyl halide-thiourea clathrates have been investigated. It is found that whereas cyclohexyl chloride and bromide exist only in the axial conformation in the clathrate, cyclohexyl iodide exists in both the axial and equatorial conformations in the clathrate.

Infrared and Raman spectra have been obtained from 11 isotopomers of cis and trans but-2-enes in various phases ( c - and t -CH 3 CHCHCH 3 , CH 3 CHCDCH 3 , CD 3 CHCHCD 3 , CD 3 CHCDCD 3 , CD 3 CDCDCD 3 ; c -CH 3 CDCDCH 3 ). Nearly all the fundamentals are securely assigned. Isolated CH stretching frequencies ν is CH are observed or deduced from the spectra and used to predict CH bond lengths and dissociation energies. The olefinic CH and methyl CH s bonds are stronger in the cis compound than those in the trans , in keeping with substituent effects previously observed in propene, and with molecular mechanics predictions. Comparison of ν is CH values with local mode fifth overtone spectra for cis -CH 3 CHCHCH 3 indicates that the part of the latter associated with the CH a bond cannot be readily interpreted.

The force constants of phosphorus (III) cyanide and arsenic (III) cyanide have been calculated using a simple valence force-field approximation with interaction constants. Several revisions are proposed to the existing vibrational assignments for the As(CN) 3 species and the vibrational assignments for P(CN) 3 are confirmed.

The vibrational Raman spectra of selenium trioxide have been observed in the solid and vapour phases for the same sample. The spectrum of the vapour phase, which essentially arises from the monomeric species SeO 3 , has provided for the first time values of the Raman-active ν 1 , ν 3 and ν 4 wavenumbers of SeO 3 . The spectrum of the solid phase represents an improvement on previous work and has enabled a partial assignment of the tetrameric species (SeO 3 ) 4 to be made.

The force constants of methyl phosphorus(III) dicyanide and methyl arsenic(III) dicyanide have been calculated using a simple valence force-field approximation with interaction constants. The assignments of the observed infrared and Raman spectra are discussed in the light of these calculations. Several revisions of the previous tentative assignments are proposed.

Force constants for an SVFF approximation have been calculated for the molecules Ni[P(CH3)3]4, Pt[P(CH3)3]4 and P(CH3)3 using an FG matrix method and vibrational assignments with the assumption of methyl point masses. The observed wavenumbers of the M[P(CH3)3]4 species were fitted using six primary and eight interaction force constants. The vibrational assignments for the Ni[P(CH3)4]4 and Pt[P(CH3)3]4 species are confirmed by the force constant calculations. Comparisons are made with the force constants for the related molecules Ni(PF3)4, Pt(PF3)4 and Ni(PCl3)4. The metal—phosphorus stretching force constant in Pt(PF3)4 is 3.5 times larger than the corresponding value in Ni(PMe3)4. Changes in the force constants are discussed in terms of the metal—phosphorus—methyl bonding in the M[P(CH3)3]4 species.

SVL fluorescence spectra of styrene-β-D2 (STYD2) are assigned and enable many new assignments to be made in the absorption spectrum. In turn these allow the determination of the first four levels of the C(1)-C(α) torsional vibration ν″42 in the ground electronic state. Using new information regarding the geometry of the molecule, in particular that 〉C(1)C(α)C(β) is about 130°, together with torsional vibrational levels from the electronic absorption spectrum and the Raman spectrum, has enabled us to determine the ν42″ torsional potential function V(φ) for styrene (STY) and STYD2: STY V(φ)/ cm −1 = [1070(1 − cos 2φ) − 275(1 − cos 4φ) + 7(1 − cos 6φ)] 2 ; STYD 2 V(φ)/ cm −1 = [1070(1 − cos 2φ) − 270(1 − cos 4φ) + 4.5(1 − cos 6φ)] 2 . This potential function changes appreciably when one quantum of ν″29, a substituent in-plane bending vibration, is excited. There is a very strong Duschinsky effect affecting ν42 and ν41, a substituent out-of-plane bending vibration, and intensity measurements in the SVL spectra have enabled us to obtain Duschinsky coefficients corresponding to the changes of normal coordinates from the X to the A state.

Urea/n-paraffin clathrates enable Raman spectroscopic studies of oriented single n-paraffin molecules in the extended planar zig-zag configuration to be made. Raman spectra in the region 0–3500 cm−1 are reported for various orientations of single crystals of the following urea and urea-d4/n-paraffin clathrates: urea/n-tetradecane, urea/n-hexadecane and urea/n-undecane. Assignments have been made for the vibration of the urea host lattice and the guest n-paraffin molecules in the extended planar zig-zag configuration, utilising the orientation measurements.

Force constants calculation have been carried out for the Ni(CO) 3 SbCl 3 molecule by the Fg-matrix method and a simplified valency force filed (SVFF) with interaction constants. Some reassignments of the observed vibrational frequencies are proposed on the basis of these calculations. The ν(NiSb) stretching frequency at 232 cm −1 was confirmed and the force constant of 1.51 mdyne A −1 evaluated. The k (NiSb) force constant is compared with k (NiP) in the related species Ni(Pcl 3 ) 4 . Bond stretching and bending force constants are compared for Ni(CO) 3 SbCl 3 and the parent molecules SbCl 3 and Ni(CO) 4 .

The Raman spectra in the lattice region (0–400 cm−1) of single crystals of NaNH4SO4·2H2O in various orientations are reported for the temperature range 293–87 K. NaNH4SO4·2H2O undergoes a transition at 101 K from a paraelectric phase to a ferroelectric phase. The changes in the Raman spectra as the crystal is cooled support the evidence from magnetic resonance studies that a large lattice distortion occurs at the transition temperature.

The Raman spectra of single crystals of NaNH4SeO4·2H2O in various orientations are reported for the temperature range 293–89 K. NaNH4SeO4·2H2O undergoes a transition at 180 K from a paraelectric phase to a ferroelectric phase. The changes in the Raman spectra as the crystal is cooled support the evidence from magnetic resonance studies that the transition is of a displacive type with an associated overdamped soft mode. Ordering of the NH ions but not of the complete crystal occurs at the transition temperature.

Normal coordinate analyses have been carried out for the ClCH 2 HGCl and BrCH 2 HgBr molecules by use of the FG-matrix method and a simple valence force field incorporating ten primary five interaction force constants. Some re-assignments and modifications of the published experimental vibrational assignments are proposed, and other tentative assignments are confirmed by these calculations. A decrease in value of the HgC stretching force constant on going from (CH 3 ) 2 Hg to ClCH 2 HgCl is observed. A comparison is made of the stretching force constants for the series of molecules (CH 3 ) 2 Hg, ClCH 2 HgCl and Cl 3 CHgCl, and the effect of substitution of the Cl atom in a methyl group of (CH 3 ) 2 Hg is discussed.

Experimental studies of the variation of intensity with excitation wavenumber of various vibrational bands in the Stokes Raman spectra of the following molecules are reported: naphthalene, pyrazine, phenazine, cinnoline and quinazoline. The results are discussed in terms of the Albrecht–Hutley theory of pre-resonance Raman intensities and the electronic states involved in the pre-resonance enhancement identified.

The Raman spectra in the region 250–1000 cm−1 are reported for six orientations of a single crystal of K2SeO4 over the temperature range 293–87 K. In the spectra of the paraelectric phase at 293 K, splitting of the internal vibrations of the SeO ion is in accord with the predictions of group theory. No significant differences are found in this internal frequency region in the ferroelectric phase at 87K. It is concluded that only minor lattice distortions are occurring at the ferroelectric phase transition which may be associated with a soft mode in the 22 cm−1 region.

Experimental studies of the variation of intensity with excitation wavenumber of some a1 vibrational bands in the Stokes Raman spectra of the following molecules are reported: quinoxaline (1,4-diazanaphthalene), phthalazine (2,3-diazanaphthalene) and pyridazine (1,2-diazabenzene). The results are discussed in terms of the Albrecht–Hutley theory of pre-resonance Raman intensities and the electronic states involved in the pre-resonance enhancement identified.

The Raman spectra in the region 400–4000 cm−1 of single crystals of NaNH4SO4·2H2O in various orientations are reported for the temperature range 293–87K. NaNH4SO4·2H2O undergoes a transition at 101 K from a paraelectric phase to a ferroelectric phase. The changes in the Raman spectra of the constituent species, NH, SO and H2O as the temperature is lowered indicate that below the phase transition there are non-equivalent ions in the unit cell. The abruptness of the spectral changes at 101 K suggests a large lattice distortion in accord with the predictions of magnetic resonance studies.

Infrared and Raman spectra are described and assignments are reported for CH 3 CDCl 2 and CD 3 CHCl 2 , together with new i.r. data for CH 3 CHCl 2 and CD 2 HCHCl 2 . Using previously obtained “isolated” CH stretching frequencies, the above data enable the trans and gauche stretch—stretch interaction force constants to be determined: f ′ g = ±0.011, f ′ t = ∓0.026 mdyn/A. Similar values, f ′ g = +0.016, f ′ t = −0.029, may be obtained from the earlier spectra of CHD 2 CHD 2 due to Van Riet. The relations between the fundamental deformation bands and their overtones and combinations are examined in order to estimate the accuracy of predictions of v s (= v 3 ) for the CH 3 and CD 3 groups from the 4 × 4 refinement and frequency sum rule. The data can be interpreted so as to give good agreement on the values of v O s of 2920 cm −1 (CH 3 ) and 2115 cm −1 (CD 3 ), provided that there are significance resonance shifts on both 2δ a and 2δ′ s levels. That this is the case seems to be true for the CD 3 group, but is uncertain for the CH 3 one.

The [I2CN]− ion, previously only known in aqueous solution, has been isolated as its caesium salt; and the previously unknown [BrICN]− ions [ClICN]− have been isolated as their caesium salts. The Raman and IR vibrational spectra of these three caesium salts have been investigated in detail and indicate that the halide ions coordinate to the I atom of ICN to form linear (C∞ν) [X—I—CN]− ions (X=I, Br or Cl), contained in a centrosymmetric unit cell. This C∞ν structure is supported by a normal coordinate analysis for the [IICN]− ion.

Resonance Raman spectra (RRS) of azobenzene, 4-aminoazobenzene, 4-methylaminobenzene and 4-dimethylaminoazobenzene in the solid state and in a range of solvents have been recorded. The RRS of the 4-aminoazobenzenes are much more solvent dependent than those of azobenzene. Their electronic absorption spectra suggest that their azo-nitrogens are strongly hydrogen bonded in aqueous media. The RRS were interpreted in terms of intra- and inter-molecular interactions. These molecules probably have a near-planar geometry in both the solid state and in aqueous media owing to intermolecular interactions. The intramolecular interactions of the nNN orbitals with the π MOs tend to cause ring twisting about the axis of the NN bond. The RRS of the aminoazobenzenes in non-polar solvents show differences from that of the powder, and these could only be attributed to the formation of non-planar structures.

To date, published material dealing with large air-purged systems1-5 has been somewhat scarce. This paper is an attempt to make more information available by presenting various arrangements for dealing with hazardous areas, explaining pressurized and purged systems, and describing a large air-purged system installation and the test results obtained during its startup.

One table herein lists induction overcurrent relays, available from the various manufacturers, along with equivalent time versus current characteristics. Another table gives relay types and current ranges suitable for phase and ground protection of 12 of the most commonly encountered industrial plant distribution and motor circuits. Recommendations result from detailed considerations of a hypothetical industrial power system. Use of these tables can be instrumental in good relay co-ordination and protection in the majority of applications when time does not permit a detailed study.

The 6-stand hot strip finishing mill planned by Algoma Steel would impose frequent swings on the utility tie line of 41 MW and 41 Mvar. Each swing would occur over a 10-second interval. To avoid these swings on the utility tie, a steam power plant rated 25 MW continuous with features permitting peak cyclic loading to 41 MW and 41 Mvar was installed. Special megawatt and megavar controls vary the power plant output to match the varying input to the strip mill. High-speed recordings of plant performance during strip mill operation are included. This is believed to be one of the few, if not the only, steam power plants operating in this manner.

LARGE industrial plants frequently generate all or a considerable amount of their electric energy requirements. The industrial may be remotely located so that a utility supply is not available. Alternatively, industrial generation may be more economical than power purchased from a utility. This can be the case if the industrial has water power or has low-cost by-product fuel available, or if its process heat requirements are large.

The pre-resonance Raman spectra of quinoxaline excited with six different wavelengths in the region 450–520 nm are reported. The changes in intensity of the 877 cm−1 vibrational Raman band with excitation wavenumber, follow the Albrecht and Hutley FB term and confirm that this vibration of b1 symmetry couples the 1B1 and 1A1 electronic levels to give “forbidden” intensity in the electronic absorption spectrum.

Improved room temperature Raman spectra obtained from oriented single crystals of K2SeO4 of high quality are reported and discussed. The new results show that some of the earlier spectra contained spurious bands and that some genuine bands were incorrectly assigned.