@article {728,
	title = {Identification and interpretation of generalized two-dimensional correlation spectroscopy features through decomposition of the perturbation domain},
	journal = {Applied Spectroscopy},
	volume = {57},
	number = {12},
	year = {2003},
	note = {ISI Document Delivery No.: 753MHTimes Cited: 8Cited Reference Count: 33},
	month = {Dec},
	pages = {1561-1574},
	type = {Article},
	abstract = {Generalized two-dimensional correlation spectroscopy offers great scope for revealing the behavior of relationships between components of a system under empirical study. We have developed methods that aid in the interpretation of two-dimensional correlation spectroscopy. These methods include reference patterns for two-dimensional correlation and correlation coefficient maps, their superposition and joint interpretation, and the use of delta functions to decompose them in the perturbation domain. We show how their joint use permits discrimination between similar two-dimensional correlation map features on the basis of different correlation coefficients. We also show how the decomposition of maps into the perturbation domain reflects the dynamic behavior of spectral features over the course of the perturbation and permits discrimination between otherwise highly similar two-dimensional correlation crosspeaks. These approaches simplify the interpretation of two-dimensional correlation spectroscopy maps and facilitate access to their rich information content.},
	keywords = {coefficient maps, COMPONENT ANALYSIS, correlation, FT-IR SPECTROSCOPY, INFRARED CORRELATION SPECTROSCOPY, INTENSITY CHANGES, MONOLAYER FILMS, perturbation domain decomposition, RAMAN-SPECTRA, reference patterns, SAMPLE-SAMPLE, SECONDARY STRUCTURE, SIMULATIONS, SPECTRA, trajectory peaks, two-dimensional correlation spectra},
	isbn = {0003-7028},
	url = {<Go to ISI>://000187234800014},
	author = {Schulze, G. and Jirasek, A. and Blades, M. W. and Turner, R. F. B.}
}
@article {728,
	title = {Identification and interpretation of generalized two-dimensional correlation spectroscopy features through decomposition of the perturbation domain},
	journal = {Applied Spectroscopy},
	volume = {57},
	number = {12},
	year = {2003},
	note = {ISI Document Delivery No.: 753MHTimes Cited: 8Cited Reference Count: 33},
	month = {Dec},
	pages = {1561-1574},
	type = {Article},
	abstract = {Generalized two-dimensional correlation spectroscopy offers great scope for revealing the behavior of relationships between components of a system under empirical study. We have developed methods that aid in the interpretation of two-dimensional correlation spectroscopy. These methods include reference patterns for two-dimensional correlation and correlation coefficient maps, their superposition and joint interpretation, and the use of delta functions to decompose them in the perturbation domain. We show how their joint use permits discrimination between similar two-dimensional correlation map features on the basis of different correlation coefficients. We also show how the decomposition of maps into the perturbation domain reflects the dynamic behavior of spectral features over the course of the perturbation and permits discrimination between otherwise highly similar two-dimensional correlation crosspeaks. These approaches simplify the interpretation of two-dimensional correlation spectroscopy maps and facilitate access to their rich information content.},
	keywords = {coefficient maps, COMPONENT ANALYSIS, correlation, FT-IR SPECTROSCOPY, INFRARED CORRELATION SPECTROSCOPY, INTENSITY CHANGES, MONOLAYER FILMS, perturbation domain decomposition, RAMAN-SPECTRA, reference patterns, SAMPLE-SAMPLE, SECONDARY STRUCTURE, SIMULATIONS, SPECTRA, trajectory peaks, two-dimensional correlation spectra},
	isbn = {0003-7028},
	url = {<Go to ISI>://000187234800014},
	author = {Schulze, G. and Jirasek, A. and Blades, M. W. and Turner, R. F. B.}
}
@article {3930,
	title = {A temperature dependence study of small solutes in zero electric field gradient nematic liquid crystal mixtures},
	journal = {Molecular Physics},
	volume = {90},
	number = {3},
	year = {1997},
	note = {ISI Document Delivery No.: WK754Times Cited: 10Cited Reference Count: 50},
	month = {Feb},
	pages = {303-313},
	type = {Article},
	abstract = {The temperature dependences of the proton nuclear magnetic resonance (NMR) spectra of the solutes 1,3,5-trichlorobenzene, metadichlorobenzene, orthodichlorobenzene, 1,3-bromochlorobenzene, benzene and 2-butyne have been studied in the special {\textquoteright}zero electric field gradient{\textquoteright} mixtures 55wt\% 1132-N-(4-ethoxybenzylidene)-4{\textquoteright}-n-butylaniline (EBBA) and 70wt\% (4-n-pentyl)-4{\textquoteright}-cyanobiphenyl-EBBA. The order parameter matrices obtained for each solute from an analysis of the NMR spectra indicate that the solutes experience a similar anisotropic potential in both mixtures.},
	keywords = {BIAXIAL SOLUTE, CONFORMATIONAL EQUILIBRIUM, INTERNAL-ROTATION, MOLECULES, NORMAL-BUTANE, orientational order, POTENTIAL FUNCTION, RAMAN-SPECTRA, SHAPE, SOLVENTS},
	isbn = {0026-8976},
	url = {<Go to ISI>://A1997WK75400001},
	author = {Chandrakumar, T. and Burnell, E. E.}
}
@article {2983,
	title = {COMPARISON OF SHORT-RANGE INTERACTIONS IN NEMATIC LIQUID-CRYSTALS - A H-2-NMR STUDY OF 5CB-D(19) AS A SOLUTE},
	journal = {Liquid Crystals},
	volume = {17},
	number = {4},
	year = {1994},
	note = {ISI Document Delivery No.: PH470Times Cited: 4Cited Reference Count: 42},
	month = {Oct},
	pages = {457-485},
	type = {Article},
	abstract = {Previous studies using dideuterium as a solute have demonstrated the importance for orientation of the interaction between the solute molecular quadrupole moment and the average electric field gradient present in liquid crystals. With the aim of learning about additional orientational mechanisms, we have studied the temperature dependence of the H-2-NMR spectra of the liquid crystal 5CB-d(19) as the solute in three liquid crystal mixtures: 55 wt \% 1132/EBBA, 56.5 wt \% 1132/EBBA and 70 wt \% 5CB/EBBA. In these mixtures, the contribution from the environment to the average electric field gradient at the H-2 nucleus of dideuterium is zero. The spectra of 5CB-d(19) in the mixtures 55 wt \% 1132/EBBA and 56.5 wt \% 1132/EBBA are equivalent, but are different from those in 70 wt \% 5CB/EBBA. The spectra of 5CB in 55 wt \% 1132/EBBA and 70 wt \% 5CB/EBBA are analysed using two different models for the short range potential, and parameters of the models are used to compare the potentials in the different mixtures. For a given spectral splitting of the chain C-1 deuteron, the reduced short range potential is the same in all three mixtures studied. The spectral differences observed are a consequence of different nematic-isotropic phase transition temperatures combined with the effect of trans/gauche-isomerization in the hydrocarbon chain.},
	keywords = {BINARY-MIXTURES, EQUILIBRIUM, FLEXIBILITY, MAGNETIC-RESONANCE, MOLECULAR-STRUCTURE, MULTIPLE-QUANTUM NMR, NORMAL-BUTANE, orientational order, RAMAN-SPECTRA, SPECTROSCOPY},
	isbn = {0267-8292},
	url = {<Go to ISI>://A1994PH47000001},
	author = {Chandrakumar, T. and Zimmerman, D. S. and Bates, G. S. and Burnell, E. E.}
}
@article {2983,
	title = {COMPARISON OF SHORT-RANGE INTERACTIONS IN NEMATIC LIQUID-CRYSTALS - A H-2-NMR STUDY OF 5CB-D(19) AS A SOLUTE},
	journal = {Liquid Crystals},
	volume = {17},
	number = {4},
	year = {1994},
	note = {ISI Document Delivery No.: PH470Times Cited: 4Cited Reference Count: 42},
	month = {Oct},
	pages = {457-485},
	type = {Article},
	abstract = {Previous studies using dideuterium as a solute have demonstrated the importance for orientation of the interaction between the solute molecular quadrupole moment and the average electric field gradient present in liquid crystals. With the aim of learning about additional orientational mechanisms, we have studied the temperature dependence of the H-2-NMR spectra of the liquid crystal 5CB-d(19) as the solute in three liquid crystal mixtures: 55 wt \% 1132/EBBA, 56.5 wt \% 1132/EBBA and 70 wt \% 5CB/EBBA. In these mixtures, the contribution from the environment to the average electric field gradient at the H-2 nucleus of dideuterium is zero. The spectra of 5CB-d(19) in the mixtures 55 wt \% 1132/EBBA and 56.5 wt \% 1132/EBBA are equivalent, but are different from those in 70 wt \% 5CB/EBBA. The spectra of 5CB in 55 wt \% 1132/EBBA and 70 wt \% 5CB/EBBA are analysed using two different models for the short range potential, and parameters of the models are used to compare the potentials in the different mixtures. For a given spectral splitting of the chain C-1 deuteron, the reduced short range potential is the same in all three mixtures studied. The spectral differences observed are a consequence of different nematic-isotropic phase transition temperatures combined with the effect of trans/gauche-isomerization in the hydrocarbon chain.},
	keywords = {BINARY-MIXTURES, EQUILIBRIUM, FLEXIBILITY, MAGNETIC-RESONANCE, MOLECULAR-STRUCTURE, MULTIPLE-QUANTUM NMR, NORMAL-BUTANE, orientational order, RAMAN-SPECTRA, SPECTROSCOPY},
	isbn = {0267-8292},
	url = {<Go to ISI>://A1994PH47000001},
	author = {Chandrakumar, T. and Zimmerman, D. S. and Bates, G. S. and Burnell, E. E.}
}
@article {7381,
	title = {BIS(CARBONYL)GOLD(I) UNDECAFLUORODIANTIMONATE(V), [AU(CO)2][SB2F11] - SYNTHESIS, VIBRATIONAL AND C-13 NMR-STUDY, AND THE MOLECULAR-STRUCTURE OF BIS(ACETONITRILE)GOLD(I) HEXAFLUOROANTIMONATE(V), [AU(NCCH3)2][SBF6]},
	journal = {Journal of the American Chemical Society},
	volume = {114},
	number = {23},
	year = {1992},
	note = {ISI Document Delivery No.: JW797Times Cited: 110Cited Reference Count: 79},
	month = {Nov},
	pages = {8972-8980},
	type = {Article},
	abstract = {The synthesis of the bis(carbonyl)gold(I) salt, [Au(CO)2] [Sb2F11], is achieved in a two-step procedure: the reduction of gold(III) fluorosulfate, Au(SO3F)3, in HSO3F to give AU(CO)SO3F as an intermediate, followed by solvolysis in liquid antimony(V) fluoride in the presence of carbon monoxide. The use of (CO)-C-13 or (CO)-O-18 permits the synthesis of the corresponding isotopically labeled salts. The compound is thermally stable up to 130-degrees-C. The cation has D(infinity h) symmetry, and all seven fundamentals, three Raman and four IR active modes, are observed. A normal coordinate analysis (NCA) and general valence force-field (GVFF) calculations are carried out and allow comparison to the isoelectronic and isosteric molecular species Hg(CN)2 and [Au(CN)2]-. The near absence of gold to carbon pi-back donation in [Au(CO)2]+ is manifested in strong carbon-oxygen bonds and consequently rather weak gold-carbon bonds, reflected in the highest CO-stretching frequencies so far observed for a metal carbonyl derivative with 2254 (nu1) and 2217 (nu3) cm-1 and a stretching force constant of 20.1 X 10(2) Nm-1. In the C-13 NMR spectrum a single-line resonance at 174 ppm is attributed to ([Au(CO)2]+)-C-13, while the ([Au(CO)]+)-C-13 chemical shift changes from 162 ppm in HSO3F to 158 ppm in magic acid (HSO3F/SbF5). The resonances for ([Au(CO)2]+)-C-13 and ([Au(CO)]+)-C-13 in the same solution are found to undergo coalescence at elevated temperature indicative of slow CO exchange. The coalescence temperature is solvent dependent, 325 K in HSO3F and 395 K in the more dilute HSO3F/SbF5 mixture. Attempts to recrystallize [Au(CO)2] [Sb2F11] from acetonitrile result in the formation of single crystals of [Au(NCCH3)2][SbF6] instead. The compound crystallizes in a cubic unit cell, space group Pa3BAR, with a = 10.250 (2) angstrom and Z = 4. The structure was determined by Patterson and Fourier methods and refined by least-squares techniques to R = 0.023 and R(w) = 0.024 for 147 reflections with I > 3sigma(I). The crystal contains linear [Au(NCCH3)2]+ cations and octahedral [SbF6]- anions, with normal dimensions.},
	keywords = {CHEMISTRY, COMPLEXES, CONSTANTS, CRYSTAL-STRUCTURE, FUNDAMENTAL-BAND, GOLD, HCO+, laser spectroscopy, METAL-CARBONYL CATIONS, RAMAN-SPECTRA},
	isbn = {0002-7863},
	url = {<Go to ISI>://A1992JW79700030},
	author = {Willner, H. and Schaebs, J. and Hwang, G. and Mistry, F. and Jones, R. and Trotter, J. and Aubke, F.}
}
@article {7381,
	title = {BIS(CARBONYL)GOLD(I) UNDECAFLUORODIANTIMONATE(V), [AU(CO)2][SB2F11] - SYNTHESIS, VIBRATIONAL AND C-13 NMR-STUDY, AND THE MOLECULAR-STRUCTURE OF BIS(ACETONITRILE)GOLD(I) HEXAFLUOROANTIMONATE(V), [AU(NCCH3)2][SBF6]},
	journal = {Journal of the American Chemical Society},
	volume = {114},
	number = {23},
	year = {1992},
	note = {ISI Document Delivery No.: JW797Times Cited: 110Cited Reference Count: 79},
	month = {Nov},
	pages = {8972-8980},
	type = {Article},
	abstract = {The synthesis of the bis(carbonyl)gold(I) salt, [Au(CO)2] [Sb2F11], is achieved in a two-step procedure: the reduction of gold(III) fluorosulfate, Au(SO3F)3, in HSO3F to give AU(CO)SO3F as an intermediate, followed by solvolysis in liquid antimony(V) fluoride in the presence of carbon monoxide. The use of (CO)-C-13 or (CO)-O-18 permits the synthesis of the corresponding isotopically labeled salts. The compound is thermally stable up to 130-degrees-C. The cation has D(infinity h) symmetry, and all seven fundamentals, three Raman and four IR active modes, are observed. A normal coordinate analysis (NCA) and general valence force-field (GVFF) calculations are carried out and allow comparison to the isoelectronic and isosteric molecular species Hg(CN)2 and [Au(CN)2]-. The near absence of gold to carbon pi-back donation in [Au(CO)2]+ is manifested in strong carbon-oxygen bonds and consequently rather weak gold-carbon bonds, reflected in the highest CO-stretching frequencies so far observed for a metal carbonyl derivative with 2254 (nu1) and 2217 (nu3) cm-1 and a stretching force constant of 20.1 X 10(2) Nm-1. In the C-13 NMR spectrum a single-line resonance at 174 ppm is attributed to ([Au(CO)2]+)-C-13, while the ([Au(CO)]+)-C-13 chemical shift changes from 162 ppm in HSO3F to 158 ppm in magic acid (HSO3F/SbF5). The resonances for ([Au(CO)2]+)-C-13 and ([Au(CO)]+)-C-13 in the same solution are found to undergo coalescence at elevated temperature indicative of slow CO exchange. The coalescence temperature is solvent dependent, 325 K in HSO3F and 395 K in the more dilute HSO3F/SbF5 mixture. Attempts to recrystallize [Au(CO)2] [Sb2F11] from acetonitrile result in the formation of single crystals of [Au(NCCH3)2][SbF6] instead. The compound crystallizes in a cubic unit cell, space group Pa3BAR, with a = 10.250 (2) angstrom and Z = 4. The structure was determined by Patterson and Fourier methods and refined by least-squares techniques to R = 0.023 and R(w) = 0.024 for 147 reflections with I > 3sigma(I). The crystal contains linear [Au(NCCH3)2]+ cations and octahedral [SbF6]- anions, with normal dimensions.},
	keywords = {CHEMISTRY, COMPLEXES, CONSTANTS, CRYSTAL-STRUCTURE, FUNDAMENTAL-BAND, GOLD, HCO+, laser spectroscopy, METAL-CARBONYL CATIONS, RAMAN-SPECTRA},
	isbn = {0002-7863},
	url = {<Go to ISI>://A1992JW79700030},
	author = {Willner, H. and Schaebs, J. and Hwang, G. and Mistry, F. and Jones, R. and Trotter, J. and Aubke, F.}
}
