Mössbauer Characterization Of Iron And Cobalt Dinitrosyl Derivatives Of 1,1′-bis(diphenylphosphino)ferrocene

The interest in the synthesis and reactivity of organometallic compounds which have two or more different metals in the same molecule has grown in recent years, due to the new chemical properties that they can present. In this work, we report the Mössbauer characterization of dppfFe(CO)3 and two novel compounds, dppfFe(NO)2 and [dppfCo(NO)2]+[SbF6]-, where dppf =1,1′-bis(diphenylphosphino)ferrocene. The complexes were also characterized by IR and31P NMR. The Mössbauer parameters of the dppfFe(NO)2 and dppfFe(CO)3, show two iron sites in the same proportions while for [dppfCo(NO)2+[SbF6]- only one site was observed. © 1994 J.C. Baltzer AG, Science Publishers.83116917

Preparation, Characterization And Electrochemical Studies Of 1,1′-bis(diphenylphosphino)ferrocene (dppf) Derivatives. Crystal Structure Of [dppfco(no)2] [sbf6]

The neutral dppfFe(NO)2 (1), the novel cationic [dppfCo(NO)2] [SbF6] (2), as well as the dppfFe(CO)3 (3) (dppf=1,1′-bis-(diphenylphosphino)ferrocene) complexes were prepared and characterized. The interaction between the two metallic centers through the dppf ligand was studied in the solid state by 57Fe Mössbauer spectroscopy and in solution by cyclic voltammetry. The Mössbauer parameters are compared with those of other dppfMLn complexes. Electrochemical studies performed on these complexes show the great influence of the MLn moiety on the redox processes of the dppf iron center. The crystal structure of complex 2 was determined (C34H28CoF6FeN2O2P 2Sb). The compound crystallizes in the triclinic, space group P1̄, a = 10.441(2), b= 10.755(2), c= 17.320(5) Å, α = 104.10(2), β = 0.504(10), γ = 111.504(10)°, U= 1744.7(7) Å3, Z = 2, R = 0.0765, wR2 = 0.1878. In this complex, the cobalt atom is coordinated to two nitrosyl ligands and to phosphorus atoms of the dppf ligand, providing a distorted tetrahedral geometry. © 1997 Elsevier Science S.A.26611927Andy Hor, T.S., Phang, L.-T., (1990) J. Organomet. Chem., 390, p. 345Andy Hor, T.S., Phang, L.-T., (1990) J. Organomet. Chem., 381, p. 121Chan, H.S.O., Andy Hor, T.S., Phang, L.-T., Tan, K.L., (1991) J. Organomet. Chem., 407, p. 353Kim, T.-J., Kwon, S.-C., Kim, Y.H., Heo, N.H., Teeter, M.M., Yamano, A., (1992) J. Organomet. Chem., 426, p. 71Phang, L.-T., Can, K.-S., Lee, H.K., Andy Hor, T.S., (1993) J. Chem. Soc., Dalton Trans., p. 2697Andy Hor, T.S., Chan, H.S.O., Phang, L.-T., Yan, Y.K., Liu, L.-K., Wen, Y.-S., (1991) Polyhedron, 10, p. 2437Yan, Y.K., Chan, H.S.O., Andy Hor, T.S., Tan, K.L., Liu, L.-K., Wen, Y.-S., (1992) J. Chem. Soc., Dalton Trans., p. 423Cramer, E., Percec, V., (1990) Polym. Prepr., Am. Chem. Soc., Div. Polym. Chem., 31, p. 516Kim, T.-J., Kwon, K.-H., Kwon, S.-C., Baeg, J.-O., Shim, S.-C., Lee, D.-H., (1990) J. Organomet. Chem., 389, p. 205Sato, M., Shigeta, H., Sekino, M., Akabori, S., (1993) J. Organomet. Chem., 458, p. 199Munyejabo, V., Damiano, J., Postel, M., Bensimon, C., Roustan, J.L.A., (1995) J. Organomet. Chem., 491, p. 61Andy Hor, T.S., Neo, S.P., Tan, C.S., Mak, T.C.W., Leung, K.W.P., Wang, R.-J., (1992) Inorg. Chem., 31, p. 4510Cuvigny, T., Julia, M., (1986) J. Organomet. Chem., 317, p. 383Cullen, W.R., Kim, T.-J., Einstein, F.W.B., Jones, T., (1985) Organometallics, 4, p. 346Miyaura, N., Ishiyama, T., Sasaki, H., Ishikawa, M., Satoh, M., Suzuki, A., (1989) J. Am. Chem. Soc., 111, p. 314Yuan, K., Scott, W.J., (1991) Tetrahedron Lett., 32, p. 189Castle, P.L., Widdowson, D.A., (1986) Tetrahedron Lett., 27, p. 6013Marr, G., Rockett, B.W., (1990) J. Organomet. Chem., 392, p. 93Houlton, A., Roberts, R.M.G., Silver, J., Parish, R.V., (1991) J. Organomet. Chem., 418, p. 269Housecroft, C.E., Owen, S.M., Raithby, P.R., Shaykh, B.A.M., (1990) Organometallics, 9, p. 1617Watson, W.H., Nagl, A., Hwang, S., Richmond, M.G., (1993) J. Organomet. Chem., 445, p. 163Enemark, J.H., Feltham, R.D., (1974) Coord. Chem. Rev., 13, p. 339Feltham, R.D., (1975) Inorg. Synth., 16, p. 1Leroy, E., Huchette, D., Mortreux, A., Petit, F., (1980) Nouv. J. Chim., 4, p. 173Tkatchenko, I., (1978) J. Mol. Catal., 4, p. 163Ballivet, D., Tkatchenko, I., (1975) J. Mol. Catal., 1, p. 319Mortreux, A., Petit, F., (1986) Appl. Catal., 24, p. 1Pandey, K.K., (1983) Coord. Chem. Rev., 51, p. 69Ballivet, D., Billard, C., Tkatchenko, I., (1977) Inorg. Chim. Acta, 25, pp. L58Huchette, D., Nicole, J., Petit, F., (1979) Tetrahedron Lett., p. 1035Butler, A.R., Williams, D.L.H., (1993) Chem. Soc. Rev., p. 233Keiter, R.L., Keiter, E.A., Hecker, K.H., Boecker, C.A., (1988) Organometallics, 7, p. 2466Gerbase, A.E., Souza, R.F.D., Vichi, E.J.S., Cunha, F.O.V., (1996) Angew. Makrom. Chem., 239, p. 33Ittel, S.D., Tolman, C.A., Krusic, P.J., English, A.D., Jesson, J.P., (1978) Inorg. Chem., 17, p. 3432Ballivet, D., Tkatchenko, I., (1977) Inorg. Chem., 16, p. 945Ballivet-Tkatchenko, D., Billard, C., Revillon, A., (1981) J. Poly. Sci., Poly. Chem. Ed., 19, p. 1697(1992), CAD4, automatic four circle diffractometer, Enraf-Nonius, Delft, Netherlands(1986) Structure Determination Package VAXSDP, Version 3.0, , B.A. Frenz and Associates Inc., College Station, TX and Enraf-Nonius Delft, NetherlandsSheldrick, G.M., (1990) SHELXS86, Program for Crystal Structure Solution, , University of Gottingen, GermanySheldrick, G.M., (1993) SHELXS93, Program for Crystal Structure Solution, , University of Göttingen, GermanyWalker, N., Stuart, D., (1983) Acta Crystallogr., Sect. A, 39, p. 158Bhaduri, S., Grundy, K., Johnson, B.J.G., (1977) J. Chem. Soc., Dalton Trans., p. 2085Bishop, J.J., Davison, A., Katcher, M.L., Lichtenberg, D.W., Merrill, R.E., Smart, J.C., (1971) J. Organomet. Chem., 27, p. 241Corain, B., Longato, B., Favero, G., Ajo, D., Pilloni, G., Russo, U., Kreissl, F.R., (1989) Inorg. Chim. Acta, 157, p. 259Garrou, P.E., (1981) Chem. Rev., 81, p. 229Johnson, C.K., (1965) ORTEP, a Thermal-ellipsoid Plot Program, , Oak Ridge National Laboratory, TNFeltham, R.D., Enemark, J.H., (1981) Top. Stereochem., 12, p. 155Postel, M., Pierrot, M., Wah, H.L.K., (1989) Inorg. Chim. Acta, 165, p. 215Kaduk, J.A., Ibers, J.A., (1977) Inorg. Chem., 16, p. 3283Martin, R.L., Taylor, D., (1976) Inorg. Chem., 15, p. 2970Houlton, A., Ibrahim, S.K., Dilworth, J.R., Silver, J., (1990) J. Chem. Soc., Dalton Trans., p. 2421Crow, J.P., Cullen, W.R., Herring, F.G., Sams, J.R., Tapping, R.L., (1971) Inorg. Chem., 10, p. 1616Mosbaek, H., Poulsen, K.G., (1974) Acta Chem. Scand., Ser. A, 28, p. 157Greenwood, N.N., Gibb, T.C., (1971) Mössbauer Spectroscopy, , Chapman and Hall, LondonSeeber, R., Albertin, G., Mazzochin, G.A., (1982) J. Chem. Soc., Dalton Trans., p. 2561Ramaley, L., Krause, J., (1969) Anal. Chem., 41, p. 1362O'Dea, J.J., Osteryoung, J., Osteryoung, R.A., (1981) Anal. Chem., 53, p. 695Heinze, J., (1984) Angew. Chem., Int. Ed. Engl., 23, p. 831Blanch, S.W., Bond, A.M., Colton, R., (1981) Inorg. Chem., 20, p. 755Baker, P.K., Connelly, N.G., Jones, B.M.R., Maher, J.P., Somers, K.R., (1980) J. Chem. Soc., Dalton Trans., p. 579Chen, H.W., Jolly, W.J., (1979) Inorg. Chem., 18, p. 2549Baker, P.K., Broadley, K., Connelly, N.G., (1982) J. Chem. Soc., Dalton Trans., p. 471Pilloni, G., Longato, B., Corain, B., (1991) J. Organomet. Chem., 420, p. 57Vogler, C., Kaim, W., (1990) J. Organomet. Chem., 398, p. 293Phang, L.-T., Au-Yeung, S.C.F., Andy Hor, T.S., Khoo, S.B., Zhou, Z.-Y., Mak, T.C.W., (1993) J. Chem. Soc., Dalton Trans., p. 165Pilloni, G., Longato, B., (1993) Inorg. Chim. Acta, 208, p. 17Miller, T.M., Ahmed, K.J., Wrighton, M.S., (1989) Inorg. Chem., 28, p. 2347Seller, P., Dunitz, J.D., (1979) Acta Crystallogr., Sect. B, 35, p. 1068Churchill, M.R., Lander, A.G., Rheingold, A.L., (1981) Inorg. Chem., 20, p. 849Geib, S.J., Rheingold, A.L., Dong, T.Y., Heindrickson, D.N., (1986) J. Organomet. Chem., 312, p. 241Cinquantini, A., Opromola, G., Zanello, P.F., Giorgi, G., (1993) J. Organomet. Chem., 444, p. 179. , and Refs. therei

Non-destructive Method For Determination Of Hydroxyl Value Of Soybean Polyol By Ls-svm Using Hatr/ft-ir

This paper presents the use of least-squares support vector machine (LS-SVM) for quantitative determination of hydroxyl value (OHV) of hydroxylated soybean oils by horizontal attenuated total reflection Fourier transform infrared (HATR/FT-IR) spectroscopy. A least-squares support vector machine (LS-SVM) calibration model for the prediction of hydroxyl value (OHV) was developed using the range 1805.1-649.9 cm-1. Validation of the method was carried out by comparing the OHV of a series of hydroxylated soybean oil predicted by the LS-SVM model to the values obtained by the AOCS standard method. A correlation coefficient equal to 0.989 and RMSEP = 4.96 mg of KOH/g was obtained. This study demonstrates a better prediction ability of the LS-SVM technique to determine OHV in hydroxylated soybean oil samples by HATR/FT-IR spectra. © 2007 Elsevier B.V. All rights reserved.5951-2 SPEC. ISS.114119Guo, A., Javni, I., Petrovic, Z.S., (2000) J. Appl. Polym. Sci., 77, p. 467Petrovic, Z.S., Guo, A., Zhang, W., (2000) J. Polym. Sci.: Part A: Polym. Chem., 38, p. 4062Huy, H., Gao, Y., Wang, D.N., Hu, C.P., Zu, S., Vanoverloop, L., Randall, D., (2002) J. Appl. Polym. Sci., 84, p. 591Parreira, T.F., Ferreira, M.M.C., Sales, H.J.S., Almeida, W.B., (2002) Appl. Spectrosc., 56, p. 1607Al-Alawi, A., van de Voort, F.R., Sedman, J., (2004) J. Am. Oil Chem. Soc., 81, p. 441Russin, T.A., van de Voort, F.R., Sedman, J., (2004) J. Am. Oil Chem. Soc., 81, p. 111Borin, A., Poppi, R.J., (2004) J. Braz. Chem. Soc., 15, p. 570Sedman, J., van de Voort, F.R., Ismail, A.A., (2000) J. Am. Oil Chem. Soc., 77, p. 399Baeten, V., Dardenne, P., (2002) Grasas Aceites, 53, p. 45da Costa Filho, P.A., Poppi, R.J., (2002) Quim. Nova, 25, p. 46Vogt, F., Karlowatz, M., Jakusch, M., Mizaikoff, B., (2003) Analyst, 128, p. 397Iñón, F.A., Garrigues, J.M., Garrigues, S., Molina, A., de la Guardiã, M., (2003) Anal. Chim. Acta, 489, p. 59Christy, A.A., Egeberg, P.K., Østensen, E.T., (2003) Vib. Spectrosc., 33, p. 37Schulz, H., Baranska, M., Quilitzsch, R., Schütze, W., (2004) Analyst, 129, p. 917Ferrão, M.F., Davanzo, C.U., (2005) Anal. Chim. Acta, 411, p. 411Fernández-Varela, R., Suárez-Rodríguez, D., Gómez-Carracedo, M.P., Andrade, J.M., Fernández, E., Muniategui, S., Prada, D., (2005) Talanta, 68, p. 116Borin, A., Poppi, R.J., (2005) Vib. Spectrosc., 37, p. 27Christy, A.A., Egeberg, P.K., (2006) Chemom. Intell. Lab., 82, p. 130Vapnik, V., (1998) Nonlinear Modeling: Advanced Black-Box Techniques, pp. 55-85. , Suykens J.A.K., and Vandewalle J. (Eds), Kluwer Academic Publishers, BostonSuykens, J.A.K., (2001) Eur. J. Control, 7, p. 311Burges, C.J.C., (1998) Data Min. Knowl. Discov., 2, p. 121Smola, A.J., Schölkopf, B., (2004) Stat. Comput., 14, p. 199Zomer, S., Brereton, R.G., Carter, J.F., Eckers, C., (2004) Analyst, 129, p. 175Brudzewski, K., Osowski, S., Markiewicz, T., (2004) Sens. Actuators B, 98, p. 291Belousov, A.I., Verzakov, S.A., von Frese, J., (2002) J. Chemom., 16, p. 482Martin, T.C., Moecks, J., Belooussov, A., Cawthraw, S., Dolenko, B., Eiden, M., von Frese, J., Petrich, W., (2004) Analyst, 129, p. 897Pierna, J.A.F., Volery, P., Besson, R., Baeten, V., Dardenne, P., (2005) J. Agric. Food Chem., 53, p. 6581Thissen, U., Üstün, B., Melssen, W.J., Buydens, L.M.C., (2004) Anal. Chem., 76, p. 3099Thissen, U., Pepers, M., Üstün, B., Melssen, W.J., Buydens, L.M.C., (2004) Chemom. Intell. Lab. Syst., 73, p. 169Chauchard, F., Cogdill, R., Roussel, S., Roger, J.M., Bellon-Maurel, V., (2004) Chemom. Intell. Lab. Syst., 71, p. 141Cogdill, R.P., Schimleck, L.R., Jones, P.D., Peter, G.F., Daniels, R.F., Clark, A., (2004) J. Near Infrared Spectrosc., 12, p. 263Borin, A., Ferrão, M.F., Mello, C., Maretto, D.A., Poppi, R.J., (2006) Anal. Chim. Acta, 579, p. 25Gaus, K., Rösch, P., Petry, R., Peschke, K.-D., Ronneberger, O., Burkhardt, H., Baumann, K., Popp, J., (2006) Biopolymers, 82, p. 286Luan, F., Ma, W.P., Zhang, X.Y., Zhang, H.X., Liu, M.C., Hu, Z.D., Fan, B.T., (2006) QSAR Comb. Sci., 25, p. 46Shi, J., Liu, X., (2006) J. Appl. Polym. Sci., 101, p. 285Suykens, J.A.K., van Gestel, T., de Brabanter, J., de Moor, B., Vandewalle, J., (2002) Least-Squares Support Vector Machines, , World Scientific, SingaporeArfken, G.B., Weber, H.J., (1995) Mathematical Methods for Physicists. fourth ed., , Academic Press, New York 973Codgill, R.P., Dardenne, P., (2004) J. Near Infrared Spectrosc., 12, p. 9