@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 {2620,
	title = {Structural and dynamical properties of ionic liquids: The influence of charge location},
	journal = {Journal of Chemical Physics},
	volume = {130},
	number = {10},
	year = {2009},
	note = {ISI Document Delivery No.: 420IFTimes Cited: 8Cited Reference Count: 31Spohr, H. V. Patey, G. N.},
	month = {Mar},
	pages = {11},
	type = {Article},
	abstract = {The properties of ionic liquids depend on the chemical structure of the constituent ions. An important difference between molten inorganic salts and room temperature ionic liquids (RTILs) is that in RTILs the charge is frequently not located at the center of mass. This paper describes a molecular dynamics investigation of the influence of charge location on the structure and transport properties of ionic liquids. The model considered consists of univalent spherical ions with the cation charge moved away from its center of mass. It is shown that the charge location has an important influence on the liquid properties. As the charge is moved off center, the electrical conductivity initially increases, and the shear viscosity decreases. However, when the charge exceeds a certain displacement, this behavior is reversed. With further charge displacement, the conductivity decreases sharply and the viscosity increases rapidly. This behavior reversal can be traced to the formation of directional ion pairs that are present in sufficient numbers, and have lifetimes sufficiently long to strongly influence the liquid properties. We suggest that the influence of directional ion pairing can explain what appear to be anomalously low conductivities and high viscosities observed for some RTILs. The rotational and reorientational motions of the cations are examined, and shown to be strongly influenced by ion-pair formation when the charge is far off center. The temperature dependence of the transport properties is considered for selected systems, and deviations from Arrhenius behavior are found to be most important for the conductivity. Based on our results, this possibly indicates that directional ion pairs create an additional "barrier" to charge transport in some ionic liquids.},
	keywords = {ANION, DIFFUSION, electrical conductivity, HYDROGEN-BONDS, liquid metals, liquid structure, liquid theory, molecular dynamics method, MOLECULAR-DYNAMICS, PHYSICOCHEMICAL PROPERTIES, pressure, TEMPERATURE, TRANSPORT-PROPERTIES, VISCOSITIES, VISCOSITY},
	isbn = {0021-9606},
	url = {<Go to ISI>://000264281800024},
	author = {Spohr, H. V. and Patey, G. N.}
}
@article {452,
	title = {Formation of a tris-capsule and a tris-carceplex from a cyclic six-bowl assembly},
	journal = {Chemical Communications},
	number = {16},
	year = {2002},
	note = {ISI Document Delivery No.: 584WWTimes Cited: 8Cited Reference Count: 25},
	month = {Aug},
	pages = {1672-1673},
	type = {Article},
	abstract = {A macrocycle composed of six cavitands was assembled into a tris-capsule and a tris-carceplex, each of which encapsulates three guest molecules.},
	keywords = {CAVITANDS, CHEMISTRY, COMPLEXATION, COORDINATION, DIMERIC CAPSULE, HYDROGEN-BONDS, MOTION, ORGANIC-MOLECULES, REVERSIBLE MOLECULAR CAPSULES, TEMPLATION},
	isbn = {1359-7345},
	url = {<Go to ISI>://000177492600008},
	author = {Mungaroo, R. and Sherman, J. C.}
}
@article {4771,
	title = {Bis-capsules: Cooperative reversible encapsulation of two molecules in adjacent separate chambers},
	journal = {Angewandte Chemie-International Edition},
	volume = {39},
	number = {1},
	year = {2000},
	note = {ISI Document Delivery No.: 273GWTimes Cited: 31Cited Reference Count: 27},
	pages = {194-+},
	type = {Article},
	keywords = {CALIXARENES, CARCEPLEXES, CAVITANDS, COMPLEXES, GUESTS, host-guest chemistry, HOSTS, HYDROGEN-BONDS, molecular recognition, NONCOVALENT INTERACTIONS, TEMPLATION},
	isbn = {1433-7851},
	url = {<Go to ISI>://000084700400026},
	author = {Chopra, N. and Naumann, C. and Sherman, J. C.}
}
@article {3271,
	title = {STUDY OF TEMPLATION AND MOLECULAR ENCAPSULATION USING HIGHLY STABLE AND GUEST-SELECTIVE SELF-ASSEMBLING STRUCTURES},
	journal = {Journal of the American Chemical Society},
	volume = {117},
	number = {35},
	year = {1995},
	note = {ISI Document Delivery No.: RT724Times Cited: 104Cited Reference Count: 17},
	month = {Sep},
	pages = {9081-9082},
	type = {Note},
	keywords = {COMPLEXATION, cyclodextrin, HYDROGEN-BONDS},
	isbn = {0002-7863},
	url = {<Go to ISI>://A1995RT72400031},
	author = {Chapman, R. G. and Sherman, J. C.}
}
@article {7015,
	title = {THERMAL AND PHOTOCHEMICAL-TRANSFORMATIONS OF ORGANOIRIDIUM PHOSPHIDE COMPLEXES - MECHANISTIC STUDIES ON CARBON PHOSPHORUS BOND FORMATION TO GENERATE CYCLOMETALATED HYDRIDE COMPLEXES BY ALPHA-HYDRIDE ABSTRACTION},
	journal = {Journal of the American Chemical Society},
	volume = {113},
	number = {23},
	year = {1991},
	note = {ISI Document Delivery No.: GP037Times Cited: 28Cited Reference Count: 62},
	month = {Nov},
	pages = {8724-8736},
	type = {Article},
	abstract = {{The thermal and photolytic transformations of a series of methyliridium(III) phosphide complexes are described. Complexes of the formula Ir(CH3)PR2[N(SiMe2CH2PPh2)2] (R = Ph, Me) rearrange thermally to generate the corresponding cyclometalated derivatives fac-Ir(eta-2-CH2PR2)H[N(SiMe2CH2PPh2)2]; continued thermolysis results in the formation of the iridium(I) phosphine complexes Ir(PMeR2)[N(SiMe2CH2PPh2)2]. Under photolytic conditions the phosphide derivatives rearrange directly to the phosphine complexes with no observable intermediates. The phenylphosphide complex Ir(CH3)PHPh[N-(SiMe2CH2PPh2)2] rearranges directly to the phosphine derivative Ir(PHPhMe)[N(SiMe2CH2PPh2)2] both thermally and photolytically with no observable intermediates. Crystals of lr(CH3)PPh2[N(SiMe2CH2PPh2)2] are monoclinic with a = 13.506 (3) angstrom},
	keywords = {ACTIVATION, C-H, CHEMISTRY, CRYSTAL-STRUCTURE, DERIVATIVES, HYDROGEN-BONDS, IRIDIUM, LIGAND, REACTIVITY, REDUCTIVE ELIMINATION},
	isbn = {0002-7863},
	url = {<Go to ISI>://A1991GP03700020},
	author = {Fryzuk,Michael D. and Joshi, K. and Chadha, R. K. and Rettig, S. J.}
}
