VIBRATIONAL SPECTROSCOPY Volume 29 Issues 1-2, 5 July 2002 www.elsevier.com/locate/vibspec Contents (Full texts are incorporated in CJELSEVIER, a file in the Chemical Journals Online database available on STN International; Abstracted, indexed in: Aluminium Abstracts; Anal. Abstr.; Biol. Abstr.; Chem. Abstr.; Curr. Contents Phys. Chem. Earth Sci.; Engineered Materials Abstracts; Excerpta Medica; Index Med.; INSPEC, The Instruction to Electrical Engineers; Life Sci.; Mass Spectrum. Bull.; Material Business Alerts; Metals Abstracts; Sci. Citation Index) Special Issue: A Collection of Papers Presented at the 1°’ INTERNATIONAL CONFERENCE ON ADVANCED VIBRATIONAL SPECTROSCOPY, Turku, Finland, August 19-24, 2001 TT Ne agg DCS a a ee Oe ee en ae ee a a oe ee a ae eee e pgK EY.) ix EERIE LORE he Ne es gE i ae es Cv eS Ae ee ee ee en See Tk ener eR. eT Impact of the optical aberrations on the line shape of Fourier-transform spectrometers J. Genest (Ottawa, Canada) and P. Tremblay (Universite Laval.,Canada) .......... 20.00.00... ccc eeee ee 3 PVP and azelaic acid adsorption on y-alumina studied by FT-IR spectroscopy ah a) oer ld a, Si ci oe Ee eh eh ew a Son ee abd S bb a4 <cé-000'% ahaa 6 15 Time-resolved spectroscopy of stable molecules ars se tind ae Re Ow’ a Gee BU Ae bark 6 aes a eh be wie eae Kade ee hese hs eas 21 High resolution Fourier transform spectroscopy with the Imperial College (IC) UV-FT spectrometer, and its applications to astrophysics and atmospheric physics: a review ll Ss Ea ik 9 a. GANS ae Be Se Od 0 8D 5 OVALS EE 6 Od Uae bed be £049 004 ER 27 & http://ChemWeb.com The World Wide Club for the Chemical Community http://chemweb.com/gateways/elsevier.htmi CO NT E NTS This journal is part of ContentsDirect, the free alerting service which sends tables of contents by e-mail for Elsevier Science books and journals. You can register for @ ContentsDirect online at: www.elsevier.com/locate/contentsdirect sovsncs( (J )oinscr: XN a Full text of this journal is available, on-line from ScienceDirect. Visit www.sciencedirect.com for more information. Contents Vii FT-IR studies of cyclogermanates M. Sitarz, M. Handke (Krakow, Poland) and H.H. Otto (Clausthal-Zellerfeld, Germany)..............c.c.c .ce.e 0uu0e e 45 Analysis of vibrational spectra of some new E- and Z-4-arylidene-3-isochromanones G. Keresztury, S. Holly (Budapest, Hungary), T. Sundius (Helsinki, Finland) and T. Lorand (Pécs, Hungary)............... 53 The carbon—hydrogen stretching region of the Raman spectra of 1,6-hexanediamine: N-deuteration, ionisation and temperature effects A.M. Amorim da Costa, M.P. M Marques and L.A.E. Batista de Carvalho (Coimbra, Portugal) ....................005. 61 Molecular orientation of new photosensitive polyesters for liquid crystal alignment B. Chae, S.W. Lee, M. Ree and S.B. Kim (Pohang, Republic of Korea) ....20.... 0c c.c. ..e.ee .eee eee 69 Characterization of B-transition of poly(tert-butyl methacrylate) thin films by two-dimensional infrared correlation spectral analysis H.S. Shin, ¥.M. Jung,T .C hang (Pohang, Republic of Korea), Y. Ozaki (Sanda, Japan) and S.B. Kim a Se a ee eee ee ee ee aa a, ee ee ee ey ees eee ee: rer 73 Direct patterning of silver colloids by microcontact printing: possibility as SERS substrate array H.S. Shin, H.J. Yang, ¥.M. Jung and S.B. Kim (Pohang, Republic of Korea) .....0.... c.c ...e.e .ee ee 79 Sensitive instrumental developments in high-resolution laser and Fourier transform spectroscopies ek tg ous NY a eS ois Wie Ad 6 wie adaware #3 whe wuld, Bix.t hpe d Fee 0 0 @wlne donde aus 83 Scaling of ab initio force fields by MOLVIB nl NE i ss a ag tana a oa is aea RN Ae Ole Ok reals Oa eed ke Ow se Ce belek we behean 89 Data acquisition and interferogram data treatment in FT-IR spectrometers me es eee a er ee ae ee ere ee 97 Damaged polyethylene acetabular cups microscopy FT-IR and mechanical determinations P. Bruni, C. Conti (Ancona, Italy), A. Corvi, M. Rocchi (Firenze, Italy) and G. Tosi (Ancona, Italy) ...................0.4.. 103 Vibrational-infrared near-field microscopy BR RPS eee eT eee eee TRE Te eee PUREE ee. ty ee oy Pee ee 109 Fourier transform mid-infrared spectroscopy with attenuated total reflection (FT-IR/ATR) as a tool for the detection of Fusarium fungi on maize G. Kos (Tulln, Austria), H. Lohninger (Wien, Austria) and R. Krska (Tulln, Austria) .. 0... 0 0 ees 115 Infrared spectroscopic ellipsometry—a new tool for characterization of semiconductor heterostructures A. Kasic, M. Schubert (Leipzig, Germany), S. Einfeldt (Raleigh, NC, USA) and D. Hommel (Bremen, Germany) ............ 121 UV curing of pressure sensitive adhesives studied by real-time FTIR-ATR spectroscopy a es ee, Se re es ee aio gk as 0 cee 6b bo hide bebe ols wee ces 6 owe BO OE 8 he 8 OES Oe WON 125 The multivariate use of vibrational spectroscopy for chemical characterisation of chromatography media Ee ee ee eee ere ee er eee ee ae 133 Depth profiling of the conversion during the photopolymerization of acrylates using real-time FTIR-ATR spectroscopy FEO LY Pe Oe eNO Fre a COP CRT IEUCL EORTC ERE E CL Pee ree 139 How a resonant charge transfer mechanism determines the relative intensities in the SERS spectra of 4-methylpyridine J.F. Arenas, |. Lopez-Tocon, S.P. Centeno, J. Soto and J.C. Otero (Malaga, Spain)... . 2... ee 147 Laser-induced dispersed vibration—rotation fluorescence: a new technique to study molecular states M. Metsala, M. Nela, S. Yang, O. Vaittinen and L. Halonen (Helsinki, Finland)... 2... 0.0.0. ee 155 The other spectroscopy: demonstration of a new de-dispersion imaging spectrograph W.G. Fateley, R.M. Hammaker (Manhattan, KS, USA), R.A. DeVerse (Kailua-Kona, HI, USA), R.R. Coifman and EE een a a a ne ee ed er ae 163 New augmented classical least squares methods for improved quantitative spectral analyses ee ee ee ee ee er rere eee ee es ee ee Laser-induced changes of silicon carbon films studied by vibrational spectroscopy H. Hobert, H.H. Dunken, S. Urban, F. Falk and H. Stafast (Jena, Germany) ....00.. c.e.e.. .ee.e ee 177 Sensitive IR narrow band optimized microspectrometer a a ag a ce tah nk ss Wah eg ware wed Ra Wb Oio eS ob eb kOe do Oe peeled ees 5 Interactions between polyanilines and platinum(IV) ions: vibrational spectroscopic studies Se, ee eee een GREE Ge, SUED INS PUIG ok Sod vn okies os We Re SAN ee eck eee ee es Se ee ee eae 191 Infrared reflection absorption and sum frequency generation spectroscopic study on the structures of the LB films of palmitoyl-L- and o.-ornithine and palmitoyl-L- and ov-lysine K. Itoh, C. Ohe, T. Tsurumaru, S. Yasukawa, T. Yamaguchi and G. Kasuya (Tokyo, Japan)... .. 2.6...ee ee 197 The role of electrical property derivatives in intermolecular vibrational interactions and their effects on vibrational spectra BS eee er ee ae ar a rarer ar re a ee re ere eee ow ere ee Vili Contents FTIR studies of structural effects due to boron addition in sintered silicon carbide EE EE Se a em ae ee ee a Theoretical IR spectra and stability of carbamic acid complexes a a asin 6 SA's bode bea wale 6 be 640 Bee Shaw eee ese acavan Study of novel polymer architectures on solid surfaces by variable angle spectroscopic and imaging ellipsometry D. Beyerlein,T . Kratzmiller and K.-J. Eichhorn (Dresden, Germany)... .........0.0 000 ccc ee eee eee ee eee Adsorption mechanism of 2-amino,5-nitropyrimidine on silver substrates, as detected by surface-enhanced Raman scattering POT CTE CTT CELE CEE CTT ETRE SLUT ECL eee Vibrational spectroscopic investigations of 5-(4-fluor-phenyl)-furan-2 carbaldehyde T. lliescu, F.D. Irimie (Cluj-Napoca, Romania), M. Bolboaca (Wurzburg, Germany), Cs. Paisz (Cluj-Napoca, Romania) and EE ag eS La ee ee a ee ee ee eee ee a any oO ere ea nr rey Raman study of B20,—SrO—CuO glasses D. Maniu, T. Iliescu, |. Ardelean, R. Ciceo-Lucacel (Cluj-Napoca, Romania), M. Bolboaca and W. Kiefer a is a ee a Re ce A es CL a ead ela b ak he Sew Oe «bebe & Vee ee sae Oe Confocal Raman investigations on hybrid polymer coatings L. Baia, K. Gigant, U. Posset, R. Petry, G. Schottner, W. Kiefer and J. Popp (Wurzburg, Germany) ...................0.. Surface enhanced Raman spectroscopy of 5-(4-fluor-pheny!)-furan-2 carbaldehide adsorbed on silver colloid T. lliescu, F.D. Irimie (Cluj-Napoca, Romania), M. Bolboaca (Wurzburg, Germany), Cs. Paisz (Cluj-Napoca, Romania) and Pe ere ek eee Pee ae eres ee er ee ora re re Thermally assisted nanosampling and analysis using micro-IR spectroscopy and other analytical methods M. Reading, D. Grandy (Loughborough, UK), A. Hammiche, L. Bozec and H.M. Pollock (Lancaster, UK).................. Theoretical and |R-matrix isolation studies on the urea and urea-D,, -'°C, and -1,3-'°N> substituted molecules J. Cz. Dobrowolski J. (Chetmska, Poland and Rydygiera, Poland), R. Kotos (Kasprzaka, Poland), J. Sadlej (Chetmska, Poland and Warsaw, Poland) and A.P. Mazurek (Chetmska, Poland) .........000. c.e c.cc .ee.e .e0nu e Assessment of quantum cascade lasers as mid infrared light sources for measurement of aqueous samples M. Kolhed (Stockholm, Sweden), M. Haberkorn, V. Pustogov, B. Mizaikoff, J. Frank (Vienna, Austria), B. Karlberg Greene, GeeCnEnOTD GUNUEE Gh, GADUDE CUUUIIOEL, PENNE kc ccc rb eed ete bewecsccaweeesetcceessvcseseeds A new approach to the problem of dispersive windows in infrared microspectroscopy ae ee es eS eee ace 4.6 OR bbe bs § hee OUD EN 6S O40 e084 bee ek) SS ere ee a i a 8 te Be dee ee os i eh ate er le ae tel es ad be dk sew ch oP