Infrared, Raman, and coherent anti-Stokes Raman spectroscopy of the hydrogen/deuterium isotopomers of nitromethane

FT-IR spectroscopic investigation of the surface reaction of CH4 with NO x species adsorbed on Pd/WO3–ZrO2 catalyst

“…It is obvious that the absorptions in spectrum c do not arise as a result of superimposition of bands due to carbonate-carboxylate (spectrum a) and nitrate species (spectrum b). As proposed above, the bands in spectrum c correspond to NO adsorbed on Pd + sites (1835 and 1785 cm )1 [20]), cismethyl nitrite (1609 and 1445 cm )1 [40,41]) and nitromethane (1554, 1385 and 1363 cm )1 [29][30][31][32][33][34][35][36][37][38][39]). …”

“…This result suggests that the NO 2 is consumed interacting with the methane. It is reasonable to propose that the product of this process is nitromethane identified in the spectrum taken at 300°C (figures 4(A), 5) by the absorption bands at 1554 (m as (NO 2 )), 1385 (m s (NO 2 )) and 1363 cm )1 (d(CH 3 )) [29][30][31][32][33][34][35][36][37][38][39] (see also figure 6, spectrum c). Simultaneously with the nitromethane formation, absorption between 3600 and 3000 cm )1 characteristic of H-bonded hydroxyls is detected (figures 4(A), 5).…”

“…Figure 7 shows the FT-IR spectra obtained from the adsorption of nitromethane on the WZ sample. The bands at 1566 (m a (NO 2 )), 1415 (m s (NO 2 )) and 1377 cm )1 (d s (CH 3 )) observed at room temperature belong to the physisorbed nitromethane [29][30][31][32][33][34][35][36][37][38][39]. The shoulder at approximately 1610 cm )1 and the weak band at 1248 cm )1 most probably indicate the formation of the aci-anion of nitromethane (CH 2 NO 2 ) ) and correspond to the m(C=N) and m as (NO 2 ) modes, respectively [32,34,[36][37][38][39].…”

Molecular Contrast Optical Coherence Tomography: A Review

“…The use of NIVI-based imaging offers another intriguing possibility-the opportunity to track different populations of the same molecular species. CARS-based microscopy experiments have demonstrated that, by using different atomic isotopes in the synthesis of specific chemical compounds, it is possible to obtain molecules of the same chemical species that are differentiated on the basis of the isotope-induced CARS spectral shifts (87)(88)(89). For example, benzene that contains deuterium in place of normal hydrogen atoms should exhibit a shifted and distinct CARS signature.…”

DFT molecular structure and initial assignment for the FTIR spectrum of ν7 band of nitromethane-D3

“…It consists of a heavy planar frame NO 2 with local symmetry C 2V and a lighter top CD 3 which has C 3V local symmetry. The detailed microwave, IR and Raman study of Nitromethane and its deuterated derivatives in all the three phases were performed by many workers [1][2][3][4][5][6][7]. The microwave analysis of nitromethane-D 3 was reinvestigated by Sorensen et al [8] to understand the interaction between almost free internal rotation and vibration.…”