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Maisuls, I.; Wolcan, E.; Piro, O.E.; Etcheverría, G.A.; Petroselli, G.; Erra-Ballsels, R.; Cabrerizo, F.M.; Ruiz, G.T. "Norharmane rhenium(i) polypyridyl complexes: Synthesis, structural and spectroscopic characterization" (2015) Dalton Transactions. 44(39):17064-17074
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Abstract:

Two novel Re(i) complexes with the general formula fac-[Re(CO)3(L)(nHo)]CF3SO3, where L = 2,2′-bipyridine (bpy) or 1,10 phenanthroline (phen) and nHo (9H-pyrido[3,4-b]indole; norharmane) have been synthesized. The Re(i)-nHo complexes were characterized by structural X-ray diffraction, 1H and 13C NMR, UV-vis absorption and FT-IR spectroscopy, and by a combination of two mass spectrometry techniques, namely ESI-MS and UV-MALDI-MS. All characterizations showed that nHo is coordinated to the metal atom by the pyridine nitrogen of the molecule. X-ray structural analysis revealed that the crystal lattices for both complexes are further stabilized by a strong >N-H⋯O bond between the pyrrole NH group of the pyridoindole ligand and one oxygen atom of the trifluoromethanesulfonate counter-ion. Ground state geometry optimization by DFT calculations showed that in fluid solution the nHo ligand may rotate freely. The nature of the electronic transitions of Re(CO)3(bpy)(nHo)+ were established by TD-DFT calculations. The set of the most important electronic transitions present in this complex are comprised of π → π∗ electronic transitions centered on bpy and nHo moieties, LLCTnHo→COs, MLLCTRe(CO)3→bpy and LLCTnHo→bpy transitions. Additionally, TD-DFT calculations predict the existence of another two intense MLLCTRe(CO)3→nHo electronic transitions. Calculated UV-vis absorption spectra are in good agreement with the corresponding experimental data for the bpy-containing complex. © The Royal Society of Chemistry 2015.

Registro:

Documento: Artículo
Título:Norharmane rhenium(i) polypyridyl complexes: Synthesis, structural and spectroscopic characterization
Autor:Maisuls, I.; Wolcan, E.; Piro, O.E.; Etcheverría, G.A.; Petroselli, G.; Erra-Ballsels, R.; Cabrerizo, F.M.; Ruiz, G.T.
Filiación:INIFTA, UNLP (CCT la Plata-CONICET), Diag. 113 y 64 C.C. 16 Suc. 4 B1906ZAA, La Plata, Argentina
IIB-INTECH-UNSAM-CONICET Int., Marino Km 8 2. CC 164, Chascomús Buenos Aires, 7130, Argentina
Instituto IFLP (CCT la Plata-CONICET), Depto. de Física, FCE-UNLP, C. C. 67, La Plata, 1900, Argentina
CIHIDECAR-CONICET, Departamento de Química Orgánica, FCEyN, UBA, Ciudad Universitaria, Pabellón II, 3er P., Buenos Aires, 1428, Argentina
Palabras clave:Absorption spectroscopy; Crystal atomic structure; Density functional theory; Ground state; Ligands; Mass spectrometry; Spectrometry; Synthesis (chemical); Ultraviolet spectroscopy; X ray diffraction; 1 ,10-phenanthroline; Electronic transition; Ground state geometry; Spectrometry technique; Spectroscopic characterization; Trifluoromethanesulfonate; UV-VIS absorption spectra; X ray structural analysis; Rhenium compounds; beta carboline; carboline derivative; rhenium; chemical structure; chemistry; infrared spectroscopy; mass spectrometry; procedures; ultraviolet spectrophotometry; X ray diffraction; Carbolines; Molecular Structure; Rhenium; Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization; Spectrophotometry, Ultraviolet; Spectroscopy, Fourier Transform Infrared; X-Ray Diffraction
Año:2015
Volumen:44
Número:39
Página de inicio:17064
Página de fin:17074
DOI: http://dx.doi.org/10.1039/c5dt02790j
Título revista:Dalton Transactions
Título revista abreviado:Dalton Trans.
ISSN:14779226
CODEN:DTARA
CAS:beta carboline, 244-63-3; rhenium, 7440-15-5; Carbolines; norharman; Rhenium
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_14779226_v44_n39_p17064_Maisuls

Referencias:

  • Allen, J.R.F., Holmstedt, B.R., (1980) Phytochemistry, 19, pp. 1573-1582
  • Fekkes, D., Tuiten, A., Bom, I., Pepplinkhuizen, L., (2001) Neurosci. Lett., 303, pp. 145-148
  • Pari, K., Sundari, C., Chandani, S., Balasubramanian, D., (2000) J. Biol. Chem., 275, pp. 2455-2462
  • Cao, R., Fan, W., Guo, L., Mac, Q., Zhang, G., Li, J., Chen, X., Qiu, L., (2013) Eur. J. Med. Chem., 60, pp. 135-143
  • Alomar, M.L., Rasee-Suriani, F.A.O., Ganuza, A., Cóceres, V.M., Cabrerizo, F.M., Angel, S.O., (2013) BCM Res. Notes, 6, pp. 1-6
  • Collins, M., Neafsey, E., Matsubara, K., Cobuzzi, R., Jr., (1992) Brain Res., 570, pp. 154-160
  • Collins, M.A., Neafsey, E.J., (2000) Neurotoxic Factors in Parkinson's Disease and Related Disorders, pp. 115-129. , ed. A. Storch and M. A. Collins, Kluwer Academic/Plenum Publishers, New York
  • Pavlovic, S., Schulze, G., Wernicke, C., Bonnet, R., Gille, G., Badiali, L., Kaminska, A., Rommelspacher, H., (2006) Neuroscience, 139, pp. 1525-1537
  • Hamann, J., Rommelspacher, H., Storch, A., Reichmann, H., Gille, G., (2006) J. Neurochem., 98, pp. 1185-1199
  • Al-Allaf, T.A.K., Rashan, L.J., (1998) Eur. J. Med. Chem., 33, pp. 817-820
  • Tan, C., Wu, S., Lai, S., Wang, M., Chen, Y., Zhou, L., Zhu, Y., Xu, A., (2011) Dalton Trans., 40, pp. 8611-8621
  • Tan, C., Lai, S., Wu, S., Hu, S., Zhou, L., Chen, Y., Wang, M., Xu, A., (2010) J. Med. Chem., 53, pp. 7613-7624
  • Fox, M.A., Chanon, M., (1988) Photoinduced Electron Transfer, , Elsevier, Amsterdam
  • Grätzel, M., (1983) Energy Resources Through Photochemistry and Catalysis, , Academic Press, New York
  • Kalyanasundaram, K., Grätzel, M., (1993) Photosensitization and Photocatalysis Using Inorganic and Organometallic Compounds, , Kluwer Academic Publishers, Dordrecht
  • Sacksteder, L., Lee, M., Demas, J.N., DeGraff, B.A., (1993) J. Am. Chem. Soc., 115, pp. 8230-8238
  • Vlček, A., (2010) Photophysics of Organometallics, 29, pp. 73-114. , ed. A. J. Lees, Springer, Berlin/Heidelberg
  • Kumar, A., Sun, S.-S., Lees, A., (2010) Photophysics of Organometallics, 29, pp. 37-71. , ed. A. J. Lees, Springer, Berlin/Heidelberg
  • Louie, M.W., Tsz-Fong, T., Lo, K.K.W., (2011) Inorg. Chem., 50, pp. 9465-9471
  • Lo, K., (2010) Photophysics of Organometallics, 29, pp. 73-114. , ed. A. J. Lees, Springer, Berlin/Heidelberg
  • Lo, K.K.W., Choi, A.W.T., Law, W.H.T., (2012) Dalton Trans., 41, pp. 6021-6047
  • Fernández-Moreira, V., Thorp-Greenwood, F.L., Amoroso, A.J., Cable, J., Court, J.B., Gray, V., Hayes, A.J., Coogan, M.P., (2010) Org. Biomol. Chem., 8, pp. 3888-3901
  • Ruiz, G.T., Juliarena, M.P., Lezna, R.O., Wolcan, E., Feliz, M.R., Ferraudi, G., (2007) Dalton Trans., pp. 2020-2029
  • Zhang, K.Y., Tso, K.K., Louie, M., Liu, H., Lo, K.K., (2013) Organometallics, 32, pp. 5098-5102
  • Smith, J.A., George, M.W., Kelly, J.M., (2011) Coord. Chem. Rev., 255, pp. 2666-2675
  • Bhuvaneswari, J., Fathima, A.K., Rajagopal, S., (2012) J. Photochem. Photobiol., A, 227, pp. 38-44
  • Martinez Saavedra, H.H., Ragone, F., David Gara, P.M., Ruiz, G.T., Wolcan, E., (2013) J. Phys. Chem. A, 117, pp. 4428-4435
  • He, L., Liao, S.Y., Tan, C.P., Ye, R.R., Xu, Y.W., Zhao, M., Ji, L.N., Mao, Z.W., (2013) Chem.-Eur. J., 19, pp. 12152-12160
  • Wyatt, M.F., (2011) J. Mass Spectrom., 46, pp. 712-719
  • Petroselli, G., Mandal, M.K., Chen, L.C., Ruiz, G.T., Wolcan, E., Hiraoka, K., Nonami, H., Erra-Balsells, R., (2012) J. Mass Spectrom., 47, pp. 313-321
  • Nonami, H., Fukui, S., Erra-Balsells, R., (1997) J. Mass Spectrom., 32, pp. 287-296
  • CrysAlisPro, Oxford Diffraction Ltfd. Version 1.171.33.48 (Release 15-09-2009 CrysAlis171.NET)
  • Enraf-Nonius, (1997) COLLECT. Nonius BV, , Delft, The Netherlands
  • Otwinowski, Z., Minor, W., (1997) Methods in Enzymology, 276, pp. 307-326. , ed. C. W. Carter Jr. and R. M. Sweet, Academic Press, New York
  • Spek, A.L., (1998) PLATON, A Multipurpose Crystallographic Tool, , Utrecht University, Utrecht, The Netherlands
  • Sheldrick, G.M., (2008) Acta Crystallogr., 64, pp. 112-122
  • Van Der Sluis, P., Spek, A.L., (1999) Acta Crystallogr., Sect. A: Fundam. Crystallogr., 46, pp. 194-201
  • Ragone, F., Martinez Saavedra, H.H., Ruiz, G.T., David Gara, P.M., Wolcan, E., (2014) J. Phys. Chem. A, 118, pp. 9661-9674
  • Hohenberg, P., Kohn, W., (1964) Phys. Rev., 136, pp. B864-B871
  • Kohn, W., Sham, L.J., (1965) Phys. Rev., 140, pp. A1133-A1138
  • Parr, R.G., Yang, W., (1989) Density Functional Theory of Atoms and Molecules, , Oxford University Press
  • Frisch, M.J., Et al. (2009) Gaussian 09, Revision A1, , Gaussian, Inc., Wallingford, CT
  • Becke, A.D., (1993) J. Chem. Phys., 98, pp. 5648-5652
  • Hay, P.J., Wadt, W.R., (1985) J. Chem. Phys., 82, pp. 270-283
  • Hay, P.J., Wadt, W.R., (1985) J. Chem. Phys., 82, pp. 299-310
  • Wadt, W.R., Hay, P.J., (1985) J. Chem. Phys., 82, pp. 284-298
  • Bauernschmitt, R., Ahlrichs, R., (1996) Chem. Phys. Lett., 256, pp. 454-464
  • Casida, M.E., Jamorski, C., Casida, K.C., Salahub, D.R., (1998) J. Chem. Phys., 108, pp. 4439-4449
  • Stratmann, R.E., Scuseria, G.E., Frisch, M.J., (1998) J. Chem. Phys., 109, pp. 8218-8224
  • Barone, V., Cossi, M., (1998) J. Phys. Chem. A, 102, pp. 1995-2001
  • Cossi, M., Barone, V., (2001) J. Chem. Phys., 115, pp. 4708-4717
  • Mennucci, B., Tomasi, J., (1997) J. Chem. Phys., 106, pp. 5151-5158
  • Fagioli, U.N., Garcia Einschlag, F.S., Cobos, C.J., Ruiz, G.T., Féliz, M.R., Wolcan, E., (2011) J. Phys. Chem. A, 115, pp. 10979-10987
  • Wolcan, E., Ruiz, G., Féliz, M.R., (1996) J. Photochem. Photobiol., A, 101, pp. 119-125
  • Casper, J.V., Meyer, T.J., (1983) J. Phys. Chem., 87, pp. 952-957
  • Oriskovich, T.A., White, P.S., Thorp, H.H., (1995) Inorg. Chem., 34, pp. 1629-1631
  • Khan, R.A., Al-Farhan, K., De Almeida, A., Alsalme, A., Casini, A., Ghazzali, M., Reeddijk, J., (2014) J. Inorg. Biochem., 140, pp. 1-5
  • Wyatt, M.F., Stein, B.K., Brenton, A.G., (2006) Anal. Chem., 78, pp. 199-206
  • Farrugia, L.J., (1997) J. Appl. Crystallogr., 30, pp. 565-566
  • Tarzi, O.I., Ponce, M.A., Cabrerizo, F.M., Bonesi, S.M., Erra-Balsells, R., (2005) ARKIVOC, pp. 295-310

Citas:

---------- APA ----------
Maisuls, I., Wolcan, E., Piro, O.E., Etcheverría, G.A., Petroselli, G., Erra-Ballsels, R., Cabrerizo, F.M.,..., Ruiz, G.T. (2015) . Norharmane rhenium(i) polypyridyl complexes: Synthesis, structural and spectroscopic characterization. Dalton Transactions, 44(39), 17064-17074.
http://dx.doi.org/10.1039/c5dt02790j
---------- CHICAGO ----------
Maisuls, I., Wolcan, E., Piro, O.E., Etcheverría, G.A., Petroselli, G., Erra-Ballsels, R., et al. "Norharmane rhenium(i) polypyridyl complexes: Synthesis, structural and spectroscopic characterization" . Dalton Transactions 44, no. 39 (2015) : 17064-17074.
http://dx.doi.org/10.1039/c5dt02790j
---------- MLA ----------
Maisuls, I., Wolcan, E., Piro, O.E., Etcheverría, G.A., Petroselli, G., Erra-Ballsels, R., et al. "Norharmane rhenium(i) polypyridyl complexes: Synthesis, structural and spectroscopic characterization" . Dalton Transactions, vol. 44, no. 39, 2015, pp. 17064-17074.
http://dx.doi.org/10.1039/c5dt02790j
---------- VANCOUVER ----------
Maisuls, I., Wolcan, E., Piro, O.E., Etcheverría, G.A., Petroselli, G., Erra-Ballsels, R., et al. Norharmane rhenium(i) polypyridyl complexes: Synthesis, structural and spectroscopic characterization. Dalton Trans. 2015;44(39):17064-17074.
http://dx.doi.org/10.1039/c5dt02790j