Raman spectral data

Recently, on-line FBRM, ATR-FTIR spectroscopy, Raman spectroscopy and PLS were used to moifitor a complex crystallization system a racemic free base of a given componnd and a chiral acid. The anthors first demonstrate that the diastereomeric composition can be estimated nsing Raman spectral data, slnrry density and temperature using a PLS model. Consequently the issne of on-line slurry density prediction, which is not readily available, arises. An additional PLS model was constructed that used the ATR-FTIR spectral data to infer slurry density. Slurry density as predicted in real-time via ATR-FTIR spectroscopy was fed into the aforementioned Raman, slurry density and temperatnre PLS model to yield a more accnrate estimate of the fractional solid composition of the two diastereomers. ... 

In the system Th(N03)4-HN03 H20, five thorium(iv) nitrate hydrates, previously unknown, have been identifiedfrom some of the solutions H2Th(N03)g,3H20 was obtained, which probably contains either H30 or H5O," or both, stabilized by [Th(N03)g]. Raman spectral data obtained from thorium nitrate solutions could be interpreted in terms of an equilibrium between complexed and free NO . 

A. P. I. Spectra (American Petroleum Institute Research Project 44) Catalog of Raman spectral data. Petroleum Research Laboratory, Carnegie Institute of Technology, 1956. 

The feasibility of diffuse reflectance NIR, Fourier transform mid-IR and FT-Raman spectroscopy in combination with multivariate data analysis for in/ on-line compositional analysis of binary polymer blends found in household and industrial recyclates has been reported [121, 122]. In addition, a thorough chemometric analysis of the Raman spectral data was performed. 

Based on the calculations at the B3LYP/6-311-I— -G level and experimentally observed vibrational spectra for the ring and chain isomers, compounds 2 and 3, respectively (see Equation 2), it was concluded that the compounds existed in the cyclic form. The crucial fact is the absence of a stretching band at 2206 cm-1 in the experimental spectra that could, according to calculation, be associated with an azido group <1999PS201>. The experimental and theoretically calculated IR and Raman spectral data for l,2,3,4-thiatriazol-5-thiol derivatives are placed in Table 7. 

Table 6.2 T-Raman spectral data of alkenes and (mixtures of) corresponding dialkenylsulfides ...

Historically, the cyclic structure of benzene with symmetry, as shown in Fig. 7.3.15, was deduced by enumerating the derivatives formed in the mono-, di-, tri-substitution reactions of benzene. The structure can also be established directly using physical methods such as X-ray and neutron diffraction, NMR, and vibrational spectroscopy. We now discuss the infrared and Raman spectral data of benzene. 

The octathionane ring of 15b was of symmetry in contrast to cyclonanosulfur C9, which was concluded to be of C1 or C2 symmetry from Raman spectral data and C2 symmetry in the ground state from theoretical calculations <1995BCJ2757>. The crystal structure of 3,3,6,6,9,9-hcxamcthyl-[ 1,2,4,5]-tctraoxonanc has been reported <1995RCB105>. 

Adenine will dissolve in compounds such as antimony trichloride and IR and Raman spectral data in this solvent are also consistent with the primary amino structure as are data on polycrystalline adenine (74JCP(71)415). Similarly, IR spectra of guanine in the solid state support the oxoamino structure, and related work with thioxopurines shows a strong band at 1323 cm and absence of bands at 2500 cm in the solid state which favor the thioxo structures (55JA2569). 

Zlomek and Piotrowskl (2) have chosen the most probable values for the wave numbers from the Infrared spectral data of Cilento et al. (3) and the Raman spectral data of Simon and Schulze (4), Thatte (5), Gerding and Westrick (6) and Delwaulle and Francois (7). Zlomek and Piotrowskl (2) found their normal coordinate treatments gave the listed wave numbers as fundamentals and lent support for the 247 cm band missing from the Raman spectral data. The structure (bond distances and angles) was determined from microwave data by Williams et al. (8). The principal moments of inertia are I. = 56.7997 x lO , I = I =... 

Table 3. Resonance Raman spectral data on diatomic species...

A summary of the resonance Raman spectral data obtained to date on triatomic species is given in Table 4. The case of NO2 is an immensely complicated one owing to overlap of the A 82 and B states, and coupling of each with the C 2 and ground states (75). At 20,000 cm the average density of vibrational levels is about 0.4/cm i corresponding to a rovibrational density in excess of 10 /cm i. 

---