The Microscopic Structure of Liquid Methanol from Raman Spectroscopy

Lin, Kui; Zhou, Xiaoguo; Luo, Yi; Liu, Shilin

doi:10.1021/jp9121968

Cited by 102 publications

(77 citation statements)

References 49 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…As the OH stretching band (2800-3700 cm À1 ) is very sensitive to the micro-structure of aqueous solutions, the spectra in this region were usually employed to study the aqueous solutions. [27,49] Previous MCR method [26] demonstrated the water molecules in hydration shell did not contribute to the spectra below~3100 cm À1 . This is because some OH stretching vibrational coupling could produce the in-phase vibration below 3100 cm À1 in bulk water; however the strong vibrational coupling does not occur in the spectra of hydration shells.…”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

Ratiometric detection of Raman hydration shell spectra

Wang

Zhu

Lin

et al. 2016

J. Raman Spectrosc.

Self Cite

View full text Add to dashboard Cite

The micro-structure of hydration shell of solute in water is significant for understanding the properties of aqueous solutions. However the spectra of hydration shell are difficult to be obtained. Herein, a novel Raman ratio spectra, which is obtained through dividing the Raman spectra of aqueous solutions from the spectrum of water, was applied to deduce the spectra of hydration shell of organic (acetone-D6) and inorganic compounds (NaNO 3 , NaSCN, NaClO 4 , Na 2 SO 4 , NaCl) in water. Those spectra of the hydration shell were employed to study the micro-structures of the first hydration shells of anions, the number of water molecules in the first hydration shell of free anions and acetone-D6, and the aggregation behavior of ions in the concentrated aqueous NaNO 3 . The number of water molecules in the hydration shell was supported by our molecular dynamic simulations. The Raman ratio spectra can be widely employed to obtain the spectra of the first hydration shell, and it is helpful to understand the micro-structure of aqueous solutions.

show abstract

Section: Resultsmentioning

confidence: 99%

“…[49][50][51][52] The setup was described briefly here. A cw laser (Coherent, Verdi V5, 532 nm) with 4.0 W power was used to excite the solutions.…”

Section: Experimental Section and MD Simulationsmentioning

confidence: 99%

Ratiometric detection of Raman hydration shell spectra

Wang

Zhu

Lin

et al. 2016

J. Raman Spectrosc.

Self Cite

View full text Add to dashboard Cite

show abstract

“…[10][11][12][13][14][15][16][17] As we have reported recently, some assignments for the C-H stretching vibrational spectra are ambiguous or incorrect even for some simple molecules such as methanol and ethanol, [1,2] and the incorrect spectral assignments have been applied to interpret many important dynamical processes. [4,[17][18][19][20] Compared with methanol and ethanol, the vibrational spectrum of 2-propanol is more complex because of the increased C-H groups.…”

Section: Introductionmentioning

confidence: 99%

Overlapping spectral features and new assignment of 2‐propanol in the C–H stretching region

Wang

et al. 2014

J Raman Spectroscopy

Self Cite

View full text Add to dashboard Cite

The vibrational spectra of gaseous and liquid 2-propanol in the C-H stretching region of 2800~3100 cm À1 were investigated by polarized photoacoustic Raman spectroscopy and conventional Raman spectroscopy, respectively. Using two deuterated samples, that is, CH 3 CDOHCH 3 and CD 3 CHOHCD 3 , the overlapping spectral features between the CH and CH 3 groups were identified. With the aid of depolarization ratio measurements and density functional theory calculations, a new spectral assignment was presented. In the gas phase, the band at 2884 cm À1 was assigned to the overlapping of one CH 3 Fermi resonance mode and a CH stretching of gauche conformer. The bands at 2917 and 2933 cm À1 were assigned to another two CH 3 Fermi resonance modes, but the latter includes weak contribution from CH stretching of trans conformer. The bands at 2950 and 2983 cm À1 were assigned to CH 3 symmetric and antisymmetric stretching, respectively. The spectral features of liquid 2-propanol are similar to those in the gas phase except for the blue shift of CH and the red shift of CH 3 band positions, which can be attributed to the intermolecular interaction in the liquid state. The new assignments not only clarify the confusions in previous studies from different spectral methods but also provide the reliable groundwork on spectral application of 2-propanol in the futures.

show abstract

“…However the mechanism of the diffuse band formation and its structure are still the unsolved problems. e importance of the problems connected with the alcohol clustering and structure and, in particular, with the mechanisms of the diffuse absorption band formation is re�ected in the great number of experimental [1][2][3][4][5][6][7][8][9], theoretical [10][11][12][13][14], and combined works [15][16][17][18][19] published in the recent years.…”

Section: Introductionmentioning

confidence: 99%

Infrared Absorption Spectra of Monohydric Alcohols

Doroshenko

Pogorelov

Šablinskas

2013

Dataset Papers in Chemistry

View full text Add to dashboard Cite

FTIR spectra of homologous series of monohydric alcohols which belong to the class of partly ordered liquids were registered. e molecules of monohydric alcohols containing hydroxyl group are able to form hydrogen-bonded clusters in the condensed phase. e existence of clusters is clearly observed from the position and the contour of the stretch OH band in the vibrational spectra of liquid alcohols. In this work, the experimentally registered FTIR spectra of liquid n-alcohols from methanol to decanol are presented as well as the same spectra of methanol, ethanol, propanol, butanol, pentanol, and hexanol in gas phase.

show abstract

The Microscopic Structure of Liquid Methanol from Raman Spectroscopy

Cited by 102 publications

References 49 publications

Ratiometric detection of Raman hydration shell spectra

Ratiometric detection of Raman hydration shell spectra

Overlapping spectral features and new assignment of 2‐propanol in the C–H stretching region

Infrared Absorption Spectra of Monohydric Alcohols

Contact Info

Product

Resources

About