Study on the characteristic spectral bands of water molecule and hydrogen bond of methane hydrate

Evidence of Guest–Guest Interaction in Clathrates Based on In Situ Raman Spectroscopy and Density Functional Theory

“…26 Similar results can also be found in the measurement of the mixture of CH 4 hydrate and sand. 27 In another study 28 that compared the spectra of CH 4 gas, CH 4 hydrate, and C 3 H 8 hydrate, this peak at 3050 cm −1 was not identified in C 3 H 8 hydrate yet with a similar peak in CH 4 gas; it was therefore suggested to represent the C−H stretching vibration mode of CH 4 in a hydrate cage. To further interpret the peak at 3053.62 cm −1 , the harmonic and anharmonic spectra were calculated and compared with those of the gas phase (see Figure 3).…”