Volume 5; Issue 20

Physical Chemistry Chemical Physics

Volume 5; Issue 20

1

DRIFTS and transient-response study of vanadia/titania catalysts during toluene partial oxidationPresented at the International Congress on Operando Spectroscopy, Lunteren, The Netherlands, March 2–6, 2003.

Rainone, Fabio, Bulushev, Dmitri A., Kiwi-Minsker, Lioubov, Renken, Albert

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 175 KB

english, 2003

2

Monitoring transition metal ions (TMI) in oxide catalysts during (re)action: the power of operando EPRPresented at the International Congress on Operando Spectroscopy, Lunteren, The Netherlands, March 2–6, 2003.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 498 KB

english, 2003

3

In situ characterization by Raman and IR vibrational spectroscopies on a single instrument: DeNOx reaction over a Pd/?-Al2O3 catalystPresented at the International Congress on Operando Spectroscopy, Lunteren, The Netherlands, March 2?6, 2003.

Le Bourdon, G., Adar, F., Moreau, M., Morel, S., Reffner, J., Mamede, A.-S., Dujardin, C., Payen, E.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 149 KB

english, 2003

4

In situ FT-IR and reactivity study of NOx storage over Pt?Ba/Al2O3 catalysts

Prinetto, F., Ghiotti, G., Nova, I., Castoldi, L., Lietti, L., Tronconi, E., Forzatti, P.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 200 KB

english, 2003

5

Role of Pt in Pt/Ba/Al2O3 NOx storage and reduction traps

Anderson, J. A., Bachiller-Baeza, B., Fern�ndez-Garc�a, M.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 674 KB

english, 2003

6

Neutron scattering studies on the hydration of phosphate ions in aqueous solutions of K3PO4, K2HPO4 and KH2PO4

Mason, P. E., Cruickshank, J. M., Neilson, G. W., Buchanan, P.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 371 KB

english, 2003

7

Determining the active site in a catalytic process: Operando spectroscopy is more than a buzzword

Weckhuysen, Bert M.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 995 KB

english, 2003

8

Operando spectroscopic investigation of supported metal oxide catalysts by combined time-resolved UV-VIS/Raman/on-line mass spectrometryPresented at the International Congress on Operando Spectroscopy, Lunteren, The Netherlands, March 2?6, 2003.

Nijhuis, T. A. (Xander), Tinnemans, Stan J., Visser, Tom, Weckhuysen, Bert M.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 286 KB

english, 2003

9

Operando spectroscopy: fundamental and technical aspects of spectroscopy of catalysts under working conditions

Weckhuysen, Bert M.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 66 KB

english, 2003

10

MultiTRACK and operando Raman-GC study of oxidative dehydrogenation of propane over alumina-supported vanadium oxide catalysts

Mul, G., Ba�ares, M. A., Garcia Cort�z, G., van der Linden, B., Khatib, S. J., Moulijn, J. A.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 553 KB

english, 2003

11

Reduction of chromia/alumina catalyst monitored by DRIFTS-mass spectrometry and TPR-Raman spectroscopyPresented at the International Congress on Operando Spectroscopy, Lunteren, The Netherlands, March 2?6, 2003.

Airaksinen, Sanna M. K., Krause, A. Outi I., Sainio, Jani, Lahtinen, Jouko, Chao, Kuei-jung, Guerrero-P�rez, M. Olga, Ba�ares, Miguel A.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 177 KB

english, 2003

12

A DRIFT spectroscopic study of acetylene adsorbed on metal oxides

Ivanov, Alexander V., Koklin, Alexei E., Uvarova, Elena B., Kustov, Leonid M.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 237 KB

english, 2003

13

Photocatalytic ?OH radical formation in TiO2 aqueous suspension studied by several detection methods

Nosaka, Yoshio, Komori, Shigeki, Yawata, Kenta, Hirakawa, Tsutomu, Nosaka, Atsuko Y.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 137 KB

english, 2003

14

Improved experimental setup for in situ UV-vis-NIR spectroscopy under catalytic conditionsPresented at the International Congress on Operando Spectroscopy, Lunteren, The Netherlands, March 2?6, 2003.

Melsheimer, J�rg, Thiede, Manfred, Ahmad, Rafat, Tzolova-M�ller, Genka, Jentoft, Friederike C.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 299 KB

english, 2003

15

Ab initio and DFT computer studies of complexes of quaternary nitrogen cations: trimethylammonium, tetramethylammonium, trimethylethylammonium, choline and acetylcholine with hydroxide, fluoride and chloride anionsElectronic supplementary information (ESI) available: Assignment and symmetry of harmonic C?H stretching modes for studied complexes. See http://www.rsc.org/suppdata/cp/b3/b307534f/

Davies, Andrew S., George, William O., Howard, Sian T.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 257 KB

english, 2003

16

Operando resonance Raman spectroscopic characterisation of the oxidation state of palladium in Pd/?-Al2O3 catalysts during the combustion of methanePresented at the International Congress on Operando Spectroscopy, Lunteren, The Netherlands, March 2?6, 2003.

Demoulin, Olivier, Navez, Micha�l, Gaigneaux, Eric M., Ruiz, Patricio, Mamede, Anne-Sophie, Granger, Pascal, Payen, Edmond

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 284 KB

english, 2003

17

Molecular arrangement of rhodamine 6G cations in the films of layered silicates: the effect of the layer charge

Bujd�k, Juraj, Iyi, Nobuo, Kaneko, Yoshiro, Cz�merov�, Adriana, Sasai, Ryo

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 176 KB

english, 2003

18

Studying the NOx-trap mechanism over a Pt-Rh/Ba/Al2O3 catalyst by operando FT-IR spectroscopyPresented at the International Congress on Operando Spectroscopy, Lunteren, The Netherlands, March 2?6, 2003.

Lesage, T., Verrier, C., Bazin, P., Saussey, J., Daturi, M.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 615 KB

english, 2003

19

The reaction of SH with O2: A theoretical high level investigation

Resende, Stella M., Ornellas, Fernando R.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 128 KB

english, 2003

20

First signals of electrochemically oxidized species of TTF and TTM-TTF: A study by in situ spectroelectrochemical FTIR and DFT calculations

Wartelle, Corinne, Viruela, Rafael, Viruela, Pedro M., Sauvage, Fran�ois X., Sall�, Marc, Ort�, Enrique, Levillain, Eric, Le Derf, Franck

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 498 KB

english, 2003

21

Propane selective oxidation on alkaline earth exchanged zeolite Y: room temperature in situ IR study

Xu, Jiang, Mojet, Barbara L., van Ommen, Jan G., Lefferts, Leon

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 249 KB

english, 2003

22

Localized and itinerant electronic states at the insulator?metal transition in Y1?xCaxVO3+?: evidence from electric transport, magnetic properties and XAS spectroscopy

Cintolesi, F., Ghigna, P., Lascialfari, A., Parravicini, G. B.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 662 KB

english, 2003

23

Temperature dependence of the reorientational dynamics and low-frequency response of aqueous urea solutions investigated by femtosecond optical Kerr-effect spectroscopy and molecular-dynamics simulation

Idrissi, A., Bartolini, P., Ricci, M., Righini, R.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 173 KB

english, 2003

24

Simultaneous determination of diffusion and adsorption properties of microporous sorbents under continuous flow conditions by frequency response methods: propane in silicalite-1

Harkness, Ian R., Cavers, Mark, McDougall, Gordon S.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 306 KB

english, 2003

25

Photoisomerization reactions of 4-methoxy- and 4-hydroxy-6-methyl-?-pyrones: An experimental matrix isolation and theoretical density functional theory study

Breda, Susana, Lapinski, Leszek, Fausto, Rui, Nowak, Maciej J.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 163 KB

english, 2003

26

Kinetic and mechanistic studies on the Heck reaction using real-time near infrared spectroscopyPresented at the International Congress on Operando Spectroscopy, Lunteren, The Netherlands, March 2?6, 2003.

Cruz, Susana C., Aarnoutse, Petra J., Rothenberg, Gadi, Westerhuis, Johan A., Smilde, Age K., Bliek, Alfred

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 216 KB

english, 2003

27

13C?77Se and 77Se?77Se spin?spin coupling tensors in carbon diselenide: NMR experiments and ZORA DFT calculations

Jokisaari, Jukka, Autschbach, Jochen

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 105 KB

english, 2003

28

Photoinduced electron transfer processes of a fused C60?TTF?C60 dumbbell triad

Kreher, David, Hudhomme, Pi�trick, Gorgues, Alain, Luo, Hongxia, Araki, Yasuyuki, Ito, Osamu

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 408 KB

english, 2003

29

TiP2O7 catalysts characterised by in situ Raman spectroscopy during the oxidative dehydrogenation of n-butane

Loridant, S., Marcu, I. C., Bergeret, G., Millet, J. M. M.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 257 KB

english, 2003

30

Optical and electrochemical properties of soluble donor-?-donor compounds as potential molecular wires and electrochemically-triggered optical switches

Porr�s, Laurent, Alain, Val�rie, Thouin, Laurent, Hapiot, Philippe, Blanchard-Desce, Mireille

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 226 KB

english, 2003

31

Redox behaviour of over-exchanged Fe/ZSM5 zeolites studied with in-situ soft X-ray absorption spectroscopy

Heijboer, W. M., Battiston, A. A., Knop-Gericke, A., H�vecker, M., Bluhm, H., Weckhuysen, B. M., Koningsberger, D. C., de Groot, F. M. F.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 182 KB

english, 2003

32

Surface Raman spectroscopic study of NO transformation over Pd-based catalysts

Mamede, A.-S., Leclercq, G., Payen, E., Grimblot, J., Granger, P.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 148 KB

english, 2003

33

The rate coefficient of the C3H3?+?C3H3 reaction from UV absorption measurements after photolysis of dipropargyl oxalate

Giri, B. R., Hippler, H., Olzmann, M., Unterreiner, A. N.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 224 KB

english, 2003

34

Reaction of HO and DO with 2-vinylfuran

Wollenhaupt, M., Williams, J., Crowley, J. N.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 206 KB

english, 2003

35

Determination of the oxidation and coordination state of copper on different Cu-based catalysts by XANES spectroscopy in situ or in operando conditionsPresented at the International Congress on Operando Spectroscopy, Lunteren, The Netherlands, March 2?6, 2003.

Lamberti, C., Bordiga, S., Bonino, F., Prestipino, C., Berlier, G., Capello, L., D'Acapito, F., Llabr�s i Xamena, F. X., Zecchina, A.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 400 KB

english, 2003

36

Understanding the influence of support alkalinity on the hydrogen and oxygen chemisorption properties of Pt particles

Ramaker, D. E., Teliska, M., Zhang, Y., Stakheev, A. Yu., Koningsberger, D. C.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 386 KB

english, 2003

37

Chiral recognition of diols by complexation with (R)-(+)-1-phenyl-1-propanol: a R2PI approach in supersonic beam

Scuderi, D., Paladini, A., Satta, M., Catone, D., Rondino, F., Tacconi, M., Filippi, A., Piccirillo, S., Giardini Guidoni, A., Speranza, M.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 483 KB

english, 2003

38

N2O5 hydrolysis on sub-micron organic aerosols: the effect of relative humidity, particle phase, and particle size

Thornton, Joel A., Braban, Christine F., Abbatt, Jonathan P. D.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 319 KB

english, 2003

39

Shpol'skii spectroscopy and vibrational analysis of [N]phenylenes

Dosche, C., Kumke, M. U., Ariese, F., Bader, A. N., Gooijer, C., Dosa, P. I., Han, S., Miljani?, O. ?., Vollhardt, K. P. C., Puchta, R., van Eikema Hommes, N. J. R.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 177 KB

english, 2003

40

Analysis of multipath transmission of spin?spin coupling constants in cyclic compounds with the help of partially spin-polarized orbital contributions

Wu, Anan, Cremer, Dieter

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 297 KB

english, 2003

41

Reduction kinetics of CuO in CuO/ZnO/ZrO2 systems

S?oczy?ski, J., Grabowski, R., Koz?owska, A., Olszewski, P. K., Stoch, J.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 234 KB

english, 2003

42

Dynamics of photochromism in salicylideneaniline: A femtosecond spectroscopic study

Mitra, Sivaprasad, Tamai, Naoto

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 240 KB

english, 2003

43

In situ ATR-IR spectroscopy: a powerful tool to elucidate the catalytic oxidation of veratryl alcohol in aqueous mediaPresented at the International Congress on Operando Spectroscopy, Lunteren, The Netherlands, March 2?6, 2003.

Kervinen, Kaisa, Allmendinger, Markus, Leskel�, Markku, Repo, Timo, Rieger, Bernhard

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 326 KB

english, 2003

44

An extended simultaneous kinetics and ringdown model: Determination of the rate constant for the reaction SiH2?+?O2Dedicated to Professor Dr Dr h.c. Heinz Georg Wagner on the occasion of his 75th birthday.

Guo, Yuanqing, Fikri, Mustapha, Friedrichs, Gernot, Temps, Friedrich

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 299 KB

english, 2003

45

Temperature resolved FTIR spectroscopy of Cr2+/SiO2 catalysts: acetylene and methylacetylene oligomerisationPresented at the International Congress on Operando Spectroscopy, Lunteren, The Netherlands, March 2?6, 2003.

Zecchina, A., Bertarione, S., Damin, A., Scarano, D., Lamberti, C., Prestipino, C., Spoto, G., Bordiga, S.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 147 KB

english, 2003

46

Reaction path description of the vinylidene?acetylene isomerization

Bittner, Maik, K�ppel, Horst

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 395 KB

english, 2003

47

Surface interaction and reaction of NO?+?CO on a supported Au catalyst

Solymosi, Frigyes, B�ns�gi, Tam�s, S�li Zakar, Timea

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 216 KB

english, 2003

48

Neurotransmitters in the gas phase: hydrated noradrenaline

Snoek, Lavina C., van Mourik, Tanja, �ar�abal, Pierre, Simons, John P.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 826 KB

english, 2003

49

Influence of distortion and Duschinsky effects on Marcus-type theories of electron transfer rate

Liang, Kuo Kan, Mebel, Alexander M., Lin, Sheng Hsien, Hayashi, Michitoshi, Selzle, Heinrich L., Schlag, Edward W., Tachiya, M.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 229 KB

english, 2003

50

Continuous flow hyperpolarized 129Xe-MAS NMR studies of microporous materialsPresented at the International Congress on Operando Spectroscopy, Lunteren, The Netherlands, March 2?6, 2003.

Nossov, Andrei, Guenneau, Flavien, Springuel-Huet, Marie-Anne, Haddad, Elias, Montouillout, Val�rie, Knott, Benno, Engelke, Frank, Fernandez, Christian, G�d�on, Antoine

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 322 KB

english, 2003

51

Resonance Raman effects in TS-1: the structure of Ti(iv) species and reactivity towards H2O, NH3 and H2O2: an in situ studyPresented at the International Congress on Operando Spectroscopy, Lunteren, The Netherlands, March 2-6, 2003.

Bordiga, S., Damin, A., Bonino, F., Ricchiardi, G., Zecchina, A., Tagliapietra, R., Lamberti, C.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 121 KB

english, 2003

52

Selective photostabilisation of guanine by methylationElectronic supplementary information (ESI) available: Figs. 2 and 3 in colour. See http://www.rsc.org/suppdata/cp/b3/b309031k/

Langer, Holger, Doltsinis, Nikos L.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 188 KB

english, 2003

53

Chemical activation in unimolecular reactions of some unsubstituted alkoxy radicals

Caralp, Fran�oise, Forst, Wendell

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 78 KB

english, 2003

54

Intramolecular charge transfer in 2-methyl-1,3-dihydrobenz[d,e]isoquinoline: Calculation of the electronic coupling matrix element

Amini, Ata, Harriman, Anthony

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 489 KB

english, 2003

55

Application of continuously circulating flow of hyperpolarized (HP) 129Xe-NMR on mesoporous materialsPresented at the International Congress on Operando Spectroscopy, Lunteren, The Netherlands, March 2?6, 2003.

Nossov, Andrei, Haddad, Elias, Guenneau, Flavien, G�d�on, Antoine

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 305 KB

english, 2003

56

In situ fluorescence XAFS study for hydrodesulfurization catalystsPresented at the International Congress on Operando Spectroscopy, Lunteren, The Netherlands, March 2-6, 2003.

Kubota, Takeshi, Hosomi, Naoto, Bando, Kyoko K., Matsui, Takashi, Okamoto, Yasuaki

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 290 KB

english, 2003

57

Structure and dynamics of the interlayer water in an uncharged 2 ? 1 clay

Arab, Mehdi, Bougeard, Daniel, Smirnov, Konstantin S.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 480 KB

english, 2003

58

Methanol synthesis over ZnO: A structure-sensitive reaction?

Wilmer, H., Kurtz, M., Klementiev, K. V., Tkachenko, O. P., Gr�nert, W., Hinrichsen, O., Birkner, A., Rabe, S., Merz, K., Driess, M., W�ll, C., Muhler, M.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 343 KB

english, 2003