@article {2474,
	title = {Spectrum of Excess Partial Molar Absorptivity. I. Near Infrared Spectroscopic Study of Aqueous Acetonitrile and Acetone},
	journal = {Journal of Physical Chemistry B},
	volume = {113},
	number = {35},
	year = {2009},
	note = {ISI Document Delivery No.: 487EETimes Cited: 4Cited Reference Count: 22Koga, Yoshikata Sebe, Fumie Minami, Takamasa Otake, Keiko Saitow, Ken-ichi Nishikawa, Keiko},
	month = {Sep},
	pages = {11928-11935},
	type = {Article},
	abstract = {We study the mixing schemes or the molecular processes occurring in aqueous acetonitrile (ACN) and acetone (ACT) by near-infrared spectroscopy (NIR). Both solutions (any other aqueous solutions) are not free from strong and complex intermolecular interactions. To tackle such a many-body problem, we first use the concept of the excess molar absorptivity, epsilon(E), which is a function of solute mole fraction in addition to that of wavenumber, nu. The plots of F E calculated from NIR spectra for both aqueous solutions against nu showed two clearly separated bands at 5020 and 5230 cm(-1); the former showed negative and the latter positive peaks. At zero and unity mole fractions of solute, epsilon(E) is identically zero independent of v. Similar to the thermodynamic excess functions, both negative and positive bands grow in size from zero to the minimum (or the maximum) and back to zero, as the mole fraction varies from 0 to 1. Since the negative band{\textquoteright}s nu-locus coincides with the NIR spectrum of ice, and the positive with that of liquid H2O, we suggest that on addition of solute the "ice-likeness" decreases and the "liquid-likeness" increases, reminiscent of the two-mixture model for liquid H2O. The modes of these variations, however, are qualitatively different between ACN-H2O and ACT-H2O. The former ACN is known to,let as a hydrophobe and ACT as a hydrophile from Our previous thermodynamic studies. To see the difference more clearly, we introduced and calculated the excess partial molar absorptivity of ACN and ACT, epsilon(E)(N), and epsilon(E,)(T) respectively. The mole fraction dependences of epsilon(E)(N) and epsilon(E)(T) show qualitatively different behavior and are consistent with the detailed mixing schemes elucidated by our earlier differential thermodynamic studies. Furthermore, we found in the H2O-rich region that the effect of hydrophobic ACN is acted on the negative band at 5020 cm(-1), while that of hydrophilic ACT is on the positive high-energy band. Thus, the present method of analysis adds more detailed insight into the difference between a hydrophobe and a hydrophile in their effects on H2O.},
	keywords = {2-DIMENSIONAL CORRELATION SPECTROSCOPY, 25-DEGREES-C, CHEMICAL-POTENTIALS, ENTHALPIES, ENTROPIES, HYDROGEN-BONDS, MIXTURES, NON-ELECTROLYTES, TEMPERATURE, WATER},
	isbn = {1520-6106},
	url = {<Go to ISI>://000269252700016},
	author = {Koga,Yoshikata and Sebe, F. and Minami, T. and Otake, K. and Saitow, K. and Nishikawa, K.}
}
@article {476,
	title = {Interactions in 1-propanol-(1,2-and 1,3-)propanediol-H2O: The effect of hydrophobic vs hydrophilic moiety on the molecular organization of H2O},
	journal = {Journal of Physical Chemistry B},
	volume = {106},
	number = {28},
	year = {2002},
	note = {ISI Document Delivery No.: 573UETimes Cited: 9Cited Reference Count: 24},
	month = {Jul},
	pages = {7090-7095},
	type = {Article},
	abstract = {The excess partial molar enthalpy and the excess chemical potential of 1-propanol in ternary systems 1-propanol-(1,2- and 1,3-)propanediols-H2O were determined. The enthalpic interaction function between 1-propanol molecules was evaluated. The mole fraction dependence of the 1-propanol-1-propanol interaction function was used as a probe to elucidate the effect of 1,2- and 1,3-propanediols on the molecular organization of H2O. Together with the earlier similar works on 2-propanol and glycerol, we conclude that the hydrophobic moiety diminishes the hydrogen bond connectivity of H2O by reducing the hydrogen bond probability of bulk H2O, while the effect of the hydropbilic moiety is primarily to reduce the degree of fluctuation inherent in liquid H2O.},
	keywords = {25-DEGREES-C, AQUEOUS MIXTURES, CHEMICAL-POTENTIALS, MIXING SCHEMES, NON-ELECTROLYTES, NONELECTROLYTES, PARTIAL MOLAR ENTHALPIES, TERT-BUTANOL, VOLUMES, WATER-RICH REGION},
	isbn = {1520-6106},
	url = {<Go to ISI>://000176849000018},
	author = {Parsons, M. T. and Koga,Yoshikata}
}
@article {4889,
	title = {A thermodynamic study of aqueous acetonitrile: excess chemical potentials, partial molar enthalpies, entropies and volumes, and fluctuations},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {78},
	number = {12},
	year = {2000},
	note = {ISI Document Delivery No.: 385LGTimes Cited: 9Cited Reference Count: 24},
	month = {Dec},
	pages = {1553-1560},
	type = {Article},
	abstract = {We measured vapour pressures of aqueous acetonitrile (abbreviated as ACN) at 6, 20, and 37 degreesC, from which excess chemical potentials of ACN (mu (E)(ACN)) were calculated. We also determined excess partial molar enthalpies of ACN (H-ACN(E)) at 6, 20, 30, 37, and 45 degreesC. From these data, excess partial molar entropies of ACN (S-ACN(E)) were calculated at 6, 20, and 37 degreesC. Using density data by Benson{\textquoteright}s group, excess partial molar volumes of ACN (V-ACN(E)) were evaluated. The response function data by the same group were also used to evaluate amplitude and wavelength of mean-square fluctuations in terms of volume, entropy, and cross between volume and entropy. All the above quantities and their dependence on the mol fraction of solute, i.e., the effect of additional solute on the above quantities were used to study the effect of acetonitrile on the molecular organization of H2O. It was found that acetonitrile works as a stronger structure-making solute than methanol. Rather its effect on H2O is about the same as that of propan-1-ol.},
	keywords = {2-BUTOXYETHANOL, 25-DEGREES-C, aqueous acetonitrile, BUTYL ALCOHOL, fluctuations, FREE-ENERGIES, interaction functions, MIXING SCHEMES, MIXTURES, NON-ELECTROLYTES, TERT-BUTANOL, VAPOR-PRESSURES, WATER-RICH REGION},
	isbn = {0008-4042},
	url = {<Go to ISI>://000166005500003},
	author = {Nikolova, P. V. and Duff, S. J. B. and Westh, P. and Haynes, C. A. and Kasahara, Y. and Nishikawa, K. and Koga,Yoshikata}
}
@article {4587,
	title = {Fluctuations in aqueous methanol, ethanol, and propan-1-ol: amplitude and wavelength of fluctuation},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {77},
	number = {12},
	year = {1999},
	note = {ISI Document Delivery No.: 262KYTimes Cited: 29Cited Reference Count: 18},
	month = {Dec},
	pages = {2039-2045},
	type = {Article},
	abstract = {Density, heat capacity, and isentropic compressibility data for aqueous methanol, ethanol, and propan-1-ol by Benson{\textquoteright}s group were used to evaluate two kinds of fluctuations; mean-square fluctuation densities; and (mean-square) normalized fluctuations, respectively, in volume, entropy, and cross (entropy/volume) effect. The mean-square fluctuation densities provide measures for the amplitude (intensity) of the fluctuation, while the normalized fluctuations contain information regarding the wavelength (extensity) of the fluctuation. Furthermore, their composition derivatives, the partial molar fluctuations of alcohols were calculated. These quantities signify the effect of additional solute on the respective fluctuations. These data were interpreted in terms of mixing schemes learned earlier in this laboratory by using the data of excess partial molar enthalpy, entropy, and volume, and the respective alcohol-alcohol interaction functions, i.e., the composition derivatives of partial molar quantities.},
	keywords = {25-DEGREES-C, and propan-1-ol, aqueous methanol, ETHANOL, fluctuation density, HEAT-CAPACITIES, LIQUID WATER, N-ALCOHOL MIXTURES, NON-ELECTROLYTES, normalized fluctuation, partial molar fluctuations of alcohol, THERMODYNAMICS, VOLUMES},
	isbn = {0008-4042},
	url = {<Go to ISI>://000084067500005},
	author = {Koga,Yoshikata}
}
