Registro:

Referencias:

• Cheng, H.H., Haider, K., Harper, S.S., Catechol and Chlorocatechols in Soil: Degradation and Extractability (1983) Soil Biol. Biochem., 15, pp. 311-317
• Schweigert, N., Zehnder, A.J.B., Eggen, R.I.L., Chemical properties of catechols and their molecular modes of toxic action in cells, from microorganisms to mammals (2001) Environmental Microbiology, 3 (2), pp. 81-91. , DOI 10.1046/j.1462-2920.2001.00176.x
• Pierpont, C.G., Lange, C.W., The Chemistry of Transition Metal Complexes Containing Catechol and Semiquinone Ligands (2007) Prog. Inorg. Chem., 41, pp. 331-442
• Giroux, S., Aury, S., Rubini, P., Parant, S., Desmurs, J.-R., Dury, M., A Spectroscopic Investigation of the Complexing Ability of Catecholate or Salicylate Derivatives Towards Aluminium(III) (2004) Polyhedron, 23, pp. 2393-2404
• Sancho, M.I., Jubert, A.H., Blanco, S.E., Ferretti, F.H., Castro, E.A., Effects of the solvent and temperature on the 2:1 catechol-Al(III)- complex (2007) Spectrochimica Acta -Part A: Molecular and Biomolecular Spectroscopy, 68 (2), pp. 387-393. , DOI 10.1016/j.saa.2006.12.007, PII S1386142506007207
• Whitcomb, D.R., Rajeswaran, M., The First Silver Catechol Complexes: Crystal Structures of Triphenylphosphine Stabilized Silver Tetra-Bromo and Tetra-Chloro-Catechols (2006) Polyhedron, 25, pp. 2033-2038
• Bruckner, C., Caulder, D.L., Raymond, K.N., Preparation and Structural Characterization of Nickel(II) Catecholates (1998) Inorganic Chemistry, 37 (26), pp. 6759-6764
• Lapouge, C., Cornard, J.-P., Theoretical Study of the Pb(II)-Catechol System in Dilute Aqueous Solution: Complex Structure and Metal Coordination Sphere Determination (2010) J. Mol. Struct., 969, pp. 88-96
• Elhabiri, M., Carrër, C., Marmolle, F., Traboulsi, H., Complexation of Iron(III) by Catecholate-Type Polyphenols (2007) Inorg. Chim. Acta, 360, pp. 353-359
• Lebedev, A.V., Ivanovo, M.V., Timoshin, A.A., Ruuge, E.K., Effect of Calcium Cations on Acid-Base Properties and Free Radical Oxidation of Dopamine and Pyrocatechol (2008) Biomed. Khim., 54, pp. 687-695
• Lebedev, A.V., Ivanova, M.V., Ruuge, E.K., Calcium-Dioxolene Complexes: Rate Constants of Pyrocatechol Oxidation in the Presence of Ca 2+ (2011) Biophysics, 56, pp. 188-193
• Turecek, F., Gatlin, C.L., Electrospray Ionization of Inorganic and Organometallic Complexes (1997) Electrospray Ionization Mass Spectrometry: Fundamentals, Instrumentation, and Applications, , Cole, R. B. Wiley: New York
• MacAleese, L., Maitre, P., Infrared spectroscopy of organometallic ions in the gas phase: From model to real world complexes (2007) Mass Spectrometry Reviews, 26 (4), pp. 583-605. , DOI 10.1002/mas.20138
• Lagutschenkov, A., Sinha, R.K., Maître, P., Dopfer, O., Structure and Infrared Spectrum of the Ag+-Phenol Ionic Complex (2010) J. Phys. Chem. A, 114, pp. 11053-11059
• Lagutschenkov, A., Lorenz, U.J., Dopfer, O., IR Spectroscopy of Isolated Metal-Organic Complexes of Biocatalytic Interest: Evidence for Coordination Number Four for Zn2+(imidazole) 4 (2011) Int. J. Mass Spectrom., 308, pp. 316-329
• Dain, R.P., Gresham, G., Groenewold, G.S., Steill, J.D., Oomens, J., Van Stipdonk, M.J., Infrared Multiple-Photon Dissociation Spectroscopy of Group II Metal Complexes with Salicylate (2011) Rapid Commun. Mass Spectrom., 25, pp. 1837-1846
• Sinha, R.K., Nicol, E., Steinmetz, V., Maître, P., Gas Phase Structure of Micro-Hydrated [Mn(ClO4)]+ and [Mn2(ClO4)3]+ Ions Probed by Infrared Spectroscopy (2010) J. Am. Soc. Mass Spectrom., 21, pp. 758-772
• Chiavarino, B., Crestoni, M.E., Fornarini, S., Taioli, S., Mancini, I., Tosi, P., Infrared Spectroscopy of Copper-Resveratrol Complexes: A Joint Experimental and Theoretical Study (2012) J. Chem. Phys., 137. , art. no. 024307
• Dopfer, O., Lemaire, J., Maître, P., Chiavarino, B., Crestoni, M.E., Fornarini, S., IR Spectroscopy of Protonated Toluene: Probing Ring Hydrogen Shifts in Gaseous Arenium Ions (2006) Int. J. Mass Spectrom., 249-250, pp. 149-154
• Dunbar, R.C., Steill, J.D., Oomens, J., Encapsulation of Metal Cations by the PhePhe Ligand: A Cation-π Ion Cage (2011) J. Am. Chem. Soc., 133, pp. 9376-9386
• Butler, M., Arroyo Mañez, P., Cabrera, G.M., Differentiation of Isomeric Hydroxypyridine N -Oxides Using Metal Complexation and Electrospray Ionization Mass Spectrometry (2011) J. Am. Soc. Mass Spectrom., 22, pp. 545-556
• Butler, M., Arroyo Mañez, P., Cabrera, G.M., (2011) Proceedings of the 59th ASMS Conference on Mass Spectrometry and Allied Topics, , Denver, Colorado, June
• Bakker, J.M., Besson, T., Lemaire, J., Scuderi, D., Maître, P., Gas-Phase Structure of a π-Allyl-Palladium Complex: Efficient Infrared Spectroscopy in a 7 T Fourier Transform Mass Spectrometer (2007) J. Phys. Chem. A, 111, pp. 13415-13424
• Bakker, J.M., Sinha, R.K., Besson, T., Brugnara, M., Tosi, P., Salpin, J.-Y., Maître, P., Tautomerism of Uracil Probed Via Infrared Spectroscopy of Singly Hydrated Protonated Uracil (2008) J. Phys. Chem. A, 112, pp. 12393-12400
• Bakker, J.M., Salpin, J.-Y., Maître, P., Tautomerism of Cytosine Probed by Gas Phase IR Spectroscopy (2009) Int. J. Mass Spectrom., 283, pp. 214-221
• Oomens, J., Sartakov, B.G., Meijer, G., Von Helden, G., Gas-Phase Infrared Multiple Photon Dissociation Spectroscopy of Mass-Selected Molecular Ions (2006) Int. J. Mass Spectrom., 254, pp. 1-19
• Frisch, M.J., (2004) Gaussian 03, , Revision C. 02; Gaussian, Inc. Wallingford, CT
• Becke, A.D., Density-Functional Thermochemistry. III. the Role of Exact Exchange (1993) J. Chem. Phys., 98, pp. 5648-5652
• Lee, C., Yang, W., Parr, R.G., Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density (1988) Phys. Rev. B: Condens. Matter, 37, pp. 785-789
• Corral, I., Mò, O., Yáñez, M., Scott, A.P., Radom, L., Interactions between Neutral Molecules and Ca2+: An Assessment of Theoretical Procedures (2003) J. Phys. Chem. A, 107, pp. 10456-10461
• Alcami, M., Gonzalez, A.I., Mo, O., Yanez, M., Performance of density functional theory methods for the treatment of metal-ligand dications (1999) Chemical Physics Letters, 307 (3-4), pp. 244-252. , PII S0009261499005138
• Suárez, D., Rayòn, V.M., Dìaz, N., Valdés, H., Ab Initio Benchmark Calculations on Ca(II) Complexes and Assessment of Density Functional Theory Methodologies (2011) J. Phys. Chem. A, 115, pp. 11331-11343
• Halls, M.D., Velkovski, J., Schlegel, H.B., Harmonic Frequency Scaling Factors for Hartree-Fock, S-VWN, B-LYP, B3-LYP, B3-PW91 and MP2 with the Sadlej pVTZ Electric Property Basis Set (2001) Theor. Chem. Acc., 105, pp. 413-421
• Bythell, B.J., Hernandez, O., Steinmetz, V., Paizs, B., Maître, P., Tyrosine Side-Chain Catalyzed Proton Transfer in the YG a2 Ion Revealed by Theory and IR Spectroscopy in the Fingerprint and XH (X = C, N, O) Stretching Regions (2012) Int. J. Mass Spectrom., 316-318, pp. 227-234
• Kohler, M., Leary, J.A., Gas-phase reactions of doubly charged alkaline earth and transition metal complexes of acetonitrile, pyridine, and methanol generated by electrospray ionization (1997) Journal of the American Society for Mass Spectrometry, 8 (11), pp. 1124-1133. , DOI 10.1016/S1044-0305(97)00155-4, PII S1044030597001554
• Corral, I., Mò, O., Yáñez, M., Salpin, J.-Y., Tortajada, J., Radom, L., Gas-Phase Reactions between Urea and Ca2+: The Importance of Coulomb Explosions (2004) J. Phys. Chem. A, 108, pp. 10080-10088
• Trujillo, C., Mò, O., Yáñez, M., Salpin, J.-Y., Tortajada, J., Gas-Phase Reactions between Thiourea and Ca2+: New Evidence for the Formation of [Ca(NH3)]2+ and other Doubly Charged Species (2007) ChemPhysChem, 8, pp. 1330-1337
• Trujillo, C., Mò, O., Yáñez, M., Tortajada, J., Salpin, J.-Y., Selenourea-Ca2+ Reactions in Gas Phase. Similarities and Dissimilarities with Urea and Thiourea (2008) J. Phys. Chem. B, 112, pp. 5479-5486
• Eizaguirre, A., Mò, O., Yáñez, M., Salpin, J.-Y., Tortajada, J., Modelling Peptide-Metal Dication Interactions: Formamide-Ca2+ Reactions in the Gas Phase (2012) Org. Biomol. Chem., 10, pp. 7552-7561
• Corral, I., Mo, O., Yanez, M., Salpin, J.-Y., Tortajada, J., Moran, D., Radom, L., An experimental and theoretical investigation of gas-phase reactions of Ca2+ with glycine (2006) Chemistry -A European Journal, 12 (26), pp. 6787-6796. , DOI 10.1002/chem.200600127
• Trujillo, C., Lamsabhi, A.M., Mò, O., Yáñez, M., Salpin, J.-Y., Unimolecular Reactivity upon Collision of Uracil-Ca2+ Complexes in the Gas Phase: Comparison with Uracil-M+ (M = H, alkali metals) and Uracil-M2+ (M = Cu, Pb) Systems (2011) Int. J. Mass Spectrom., 306, pp. 27-36
• Tuytten, R., Lemiere, F., Van Dongen, W., Esmans, E.L., Witters, E., Herrebout, W., Van Der Veken, B., Newton, R.P., Intriguing mass spectrometric behavior of guanosine under low energy collision-induced dissociation: H2O adduct formation and gas-phase reactions in the collision cell (2005) Journal of the American Society for Mass Spectrometry, 16 (8), pp. 1291-1304. , DOI 10.1016/j.jasms.2005.03.026, PII S104403050500262X
• Stein, S.E., Infrared Spectra by NIST Mass Spec Data Center NIST Chemistry WebBook, , http://webbook.nist.gov, NIST Standard Reference Database Number 69; Linstrom, P. J. Mallard, W. G. National Institute of Standards, Technology: Gaithersburg, MD
• Gerhards, M., Perl, W., Schumm, S., Henrichs, U., Jacoby, C., Kleinermanns, K., Structure and vibrations of catechol and catechol·H 2O(D2O) in the S0 and S1 state (1996) Journal of Chemical Physics, 104 (23), pp. 9362-9375
• Gardner, A.M., Wright, T.G., Consistent Assignment of the Vibrations of Monosubstituted Benzenes (2011) J. Chem. Phys., 135. , art. no. 114305
• Mandado, M., Grana, A.M., Mosquera, R.A., Do 1,2-Ethanediol and 1,2-Dihydroxybenzene Present Intramolecular Hydrogen Bond? (2004) Phys. Chem. Chem. Phys., 6, pp. 4391-4396
• Gomez-Zaleta, B., Gomez-Balderas, R., Hernandez-Trujillo, J., Theoretical Analysis of Hydrogen Bonding in Catechol-n(H2O) Clusters (n = 0···3) (2010) Phys. Chem. Chem. Phys., 12, pp. 4783-4790
• Shimanouchi, T., Molecular Vibration Frequencies NIST Chemistry WebBook, , http://webbook.nist.gov, NIST Standard Reference Database Number 69; Linstrom, P. J. Mallard, W. G. National Institute of Standards, Technology: Gaithersburg, MD
• Obrien, J.T., Williams, E.R., Coordination Numbers of Hydrated Divalent Transition Metal Ions Investigated with IRPD Spectroscopy (2011) J. Phys. Chem. A, 115, pp. 14612-14619
• Bandyopadhyay, B., Duncan, M.A., Infrared Spectroscopy of V2+(H2O) Complexes (2012) Chem. Phys. Lett., 530, pp. 10-15
• Walters, R.S., Pillai, E.D., Duncan, M.A., Solvation dynamics in Ni+(H2O)n clusters probed with infrared spectroscopy (2005) Journal of the American Chemical Society, 127 (47), pp. 16599-16610. , DOI 10.1021/ja0542587
• Bush, M.F., Saykally, R.J., Williams, E.R., Hydration of the Calcium Dication: Direct Evidence for Second Shell Formation from Infrared Spectroscopy (2007) ChemPhysChem, 8, pp. 2245-2253
• Headrick, J.M., Diken, E.G., Walters, R.S., Hammer, N.I., Christie, R.A., Cui, J., Myshakin, E.M., Jordan, K.D., Chemistry: Spectral signatures of hydrated proton vibrations in water clusters (2005) Science, 308 (5729), pp. 1765-1769. , DOI 10.1126/science.1113094
• Pankewitz, T., Lagutschenkov, A., Niedner-Schatteburg, G., Xantheas, S.S., Lee, Y.-T., Infrared Spectrum of NH4 + (H2O): Evidence for Mode Specific Fragmentation (2007) J. Chem. Phys., 126. , art. no. 074307
• Lagutschenkov, A., Langer, J., Berden, G., Oomens, J., Dopfer, O., Infrared Spectra of Protonated Neurotransmitters: Dopamine (2011) Phys. Chem. Chem. Phys., 13, pp. 2815-2823
• Salpin, J.-Y., Guillaumont, S., Ortiz, D., Tortajada, J., Maître, P., Direct Evidence for Tautomerization of the Uracil Moiety within the Pb2+/Uridine-5Monophosphate Complex: A Combined Tandem Mass Spectrometry and IRMPD Study (2011) Inorg. Chem., 50, pp. 7769-7778
• Wang, Y., (2009) A Computational Study of Keto-Enol Equilibria of Catechol in Gas and Aqueous Solution Phase, , Thesis Submitted to the Graduate Faculty of Wake Forest University for the Degree of M.Sc. in the Department of Chemistry, Winston-Salem, North Carolina
• Lei, X.L., Pan, B.C., Structures, Stability, Vibration Entropy and IR Spectra of Hydrated Calcium Ion Clusters [Ca(H2O)n]2+ (n = 1-20, 27): A Systematic Investigation by Density Functional Theory (2010) J. Phys. Chem. A, 114, pp. 7595-7603
• Jiang, L., Wende, T., Bergmann, R., Meijer, G., Asmis, K.R., Gas-Phase Vibrational Spectroscopy of Microhydrated Magnesium Nitrate Ions [MgNO3(H2O)1-4]+ (2010) J. Am. Chem. Soc., 132, pp. 7398-7404
• Paterova, J., Heyda, J., Jungwirth, P., Shaffer, C.J., Revesz, A., Zins, E.L., Schroder, D., Microhydration of the Magnesium(II) Acetate Cation in the Gas Phase (2011) J. Phys. Chem. A, 115, pp. 6813-6819
• Trujillo, C., Lamsabhi, A.M., Mò, O., Yáñez, M., Salpin, J.-Y., Interaction of Ca2+ with Uracil and Its Thio Derivatives in the Gas Phase (2008) Org. Biomol. Chem., 6, pp. 3695-3702
• Salpin, J.Y., Guillaumont, S., Tortajada, J., Macaleese, L., Lemaire, J., Maitre, P., Infrared Spectra of Protonated Uracil, Thymine and Cytosine (2007) ChemPhysChem, 8, pp. 2235-2244
• Michalska, R.D., Zierkiewicz, W., Bieǹko, D.C., Wojciechowski, W., Zeegers-Huyskens, T., "troublesome" Vibrations of Aromatic Molecules in Second-Order Möller-Plesset and Density Functional Theory Calculations: Infrared Spectra of Phenol and Phenol-OD (2001) J. Phys. Chem. A, 105, pp. 8734-8739
• Carl, D.R., Armentrout, P.B., Experimental Investigation of the Complete Inner Shell Hydration Energies of Ca2+: Threshold Collision-Induced Dissociation of Ca 2+(H2O)x Complexes (x = 2-8) (2012) J. Phys. Chem. A, 116, pp. 3802-3815
• Beyer, M., Williams, E.R., Bondybey, V.E., Unimolecular Reactions of Dihydrated Alkaline Earth Metal Dications M2+(H2O)2, M = Be, Mg, Ca, Sr, and Ba: Salt-Bridge Mechanism in the Proton-Transfer Reaction M2+(H 2O)2 → MOH+ + H3O+ (1999) J. Am. Chem. Soc., 121, pp. 1565-1573

Citas:

---------- APA ----------

---------- CHICAGO ----------

---------- MLA ----------

---------- VANCOUVER ----------