Spectroscopic and theoretical evidence for the cooperativity between red-shift hydrogen bond and blue-shift hydrogen bond in DMSO aqueous solutions

Li, Qingzhong; An, Xiulin; Gong, Baoan; Cheng, Jianbo

doi:10.1016/j.saa.2007.03.034

Cited by 48 publications

(26 citation statements)

References 18 publications

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“…In MB case they are hydrochlorides. In such cases it is important to take into account the effect of intermolecular interactions in dye-dye and dye-environment systems [8,13,[16][17][18][19][20][39][40][41][42][43][44].…”

Section: Introductionmentioning

confidence: 99%

Manifestation of intermolecular interactions in FTIR spectra of methylene blue molecules

Ovchinnikov

Evtukhova

Kondratenko

et al. 2016

Vibrational Spectroscopy

313

141

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Section: Introductionmentioning

confidence: 99%

Manifestation of intermolecular interactions in FTIR spectra of methylene blue molecules

Ovchinnikov

Evtukhova

Kondratenko

et al. 2016

Vibrational Spectroscopy

313

141

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“…[40,41] Beyond this, investigations of the tetrahedral order parameter q of water in DMSO/water mixtures revealed that the mixture crosses over different structures, which affects in different ways the local order of water molecules and consequently of their neighbors. Therefore, it can be responsible for a change in the transport properties of the mixture.…”

Section: Introductionmentioning

confidence: 99%

Concentration‐Dependent Hydrogen‐Bonding Effects on the Dimethyl Sulfoxide Vibrational Structure in the Presence of Water, Methanol, and Ethanol

Noack¹,

Kiefer²,

Leipertz³

2010

ChemPhysChem

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The effects of hydrogen bonding between dimethyl sulfoxide (DMSO) and the co-solvents water, methanol, and ethanol on the symmetric and antisymmetric CSC stretching vibrations of DMSO are investigated by means of Raman spectroscopy. The Raman spectra are recorded as a function of co-solvent concentration and reflect changes in structure and polarizability as well as hydrogen-bond donor and acceptor ability. In all cases studied a nonideal mixing behavior is observed. The spectra of the DMSO/water system show blue-shifted CSC stretching modes. The antisymmetric frequencies are always further blue-shifted than the symmetric stretching ones. The DMSO/methanol system also features blue-shifted CSC stretching frequencies but at high mole fractions a pronounced red shifting is observed. In the binary DMSO/ethanol system, the co-solvent also gives rise to blue shifts of the CSC stretching frequencies but restricted to mole fractions between x=0.38 and 0.45. The different magnitudes and occurrences of both blue- and red-shifted spectral lines are comprehensively and critically discussed with respect to the existing literature concerning wavenumbers and Raman intensities in both absolute and normalized values. In particular, the normalized Raman intensities show a higher sensitivity for the nonideal mixing behavior because they are independent of the mole fraction.

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“…For example, the cooperativity between CH···O and OH···O hydrogen bonds in the dimethylsulfoxide (DMSO)-water linear structure is more than that in the corresponding cyclic structure. [22,23] However, the cooperativity of the same types of hydrogen bonds is more in the cyclic cluster than that in the linear cluster. [28] The dihydrogen bond is an important unconventional hydrogen bond, in which the proton acceptor is often a metal hydride.…”

Section: Introductionmentioning

confidence: 99%

Cooperativity between the Dihydrogen Bond and the N⋅⋅⋅HC Hydrogen Bond in LiH–(HCN)_nComplexes

et al. 2008

ChemPhysChem

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The cooperativity between the dihydrogen bond and the NHC hydrogen bond in LiH-(HCN)(n) (n=2 and 3) complexes is investigated at the MP2 level of theory. The bond lengths, dipole moments, and energies are analyzed. It is demonstrated that synergetic effects are present in the complexes. The cooperativity contribution of the dihydrogen bond is smaller than that of the NHC hydrogen bond. The three-body energy in systems involving different types of hydrogen bonds is larger than that in the same hydrogen-bonded systems. NBO analyses indicate that orbital interaction, charge transfer, and bond polarization are mainly responsible for the cooperativity between the two types of hydrogen bonds.

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Spectroscopic and theoretical evidence for the cooperativity between red-shift hydrogen bond and blue-shift hydrogen bond in DMSO aqueous solutions

Cited by 48 publications

References 18 publications

Manifestation of intermolecular interactions in FTIR spectra of methylene blue molecules

Manifestation of intermolecular interactions in FTIR spectra of methylene blue molecules

Concentration‐Dependent Hydrogen‐Bonding Effects on the Dimethyl Sulfoxide Vibrational Structure in the Presence of Water, Methanol, and Ethanol

Cooperativity between the Dihydrogen Bond and the N⋅⋅⋅HC Hydrogen Bond in LiH–(HCN)_nComplexes

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Spectroscopic and theoretical evidence for the cooperativity between red-shift hydrogen bond and blue-shift hydrogen bond in DMSO aqueous solutions

Cited by 48 publications

References 18 publications

Manifestation of intermolecular interactions in FTIR spectra of methylene blue molecules

Manifestation of intermolecular interactions in FTIR spectra of methylene blue molecules

Concentration‐Dependent Hydrogen‐Bonding Effects on the Dimethyl Sulfoxide Vibrational Structure in the Presence of Water, Methanol, and Ethanol

Cooperativity between the Dihydrogen Bond and the N⋅⋅⋅HC Hydrogen Bond in LiH–(HCN)nComplexes

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Cooperativity between the Dihydrogen Bond and the N⋅⋅⋅HC Hydrogen Bond in LiH–(HCN)_nComplexes