Search Results - "Lundell, Jan"

Experimental FTIR-MI and Theoretical Studies of Isocyanic Acid Aggregates by Krupa, Justyna, Wierzejewska, Maria, Lundell, Jan

“…Homoaggregates of isocyanic acid (HNCO) were studied using FTIR spectroscopy combined with a low-temperature matrix isolation technique and quantum chemical…”
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Matrix Isolation FTIR and Theoretical Study of Weakly Bound Complexes of Isocyanic Acid with Nitrogen by Krupa, Justyna, Wierzejewska, Maria, Lundell, Jan

“…Weak complexes of isocyanic acid (HNCO) with nitrogen were studied computationally employing MP2, B2PLYPD3 and B3LYPD3 methods and experimentally by FTIR…”
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Structure and IR Spectroscopic Properties of HNCO Complexes with SO2 Isolated in Solid Argon by Krupa, Justyna, Wierzejewska, Maria, Lundell, Jan

“…FTIR spectroscopy was combined with the matrix isolation technique and quantum chemical calculations with the aim of studying complexes of isocyanic acid with…”
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Complexes of HXeY with HX (Y, X = F, Cl, Br, I): Symmetry-Adapted Perturbation Theory Study and Anharmonic Vibrational Analysis by Dzięcioł, Bartosz, Osadchuk, Irina, Cukras, Janusz, Lundell, Jan

“…A comprehensive analysis of the intermolecular interaction energy and anharmonic vibrations of 41 structures of the HXeY⋯HX (X, Y = F, Cl, Br, I) family of…”
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Anharmonic Vibrational Spectrum and Experimental Matrix Isolation Study of Thioformic Acid Conformers—Potential Candidates for Molecular Cloud and Solar System Observations? by Lignell, Antti, Osadchuk, Irina, Räsänen, Markku, Lundell, Jan

“…Abstract Thioformic acid (TFA) is the sulfur analog of formic acid, the simplest organic acid. It has three analogs, HCOSH, HCSOH, and HCSSH, each of them…”
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The Geometry and Nature of C─I···O─N Interactions in Perfluoroiodobenzene‐Pyridine N‐oxide Halogen‐Bonded Complexes by Rautiainen, Juha Mikko, Valkonen, Arto, Lundell, Jan, Rissanen, Kari, Puttreddy, Rakesh

“…The N─Oxide oxygen in the 111 C─I···⁻O─N+ halogen bond (XB) complexes, formed by five perfluoroiodobenzene XB donors and 32 pyridine N‐oxides (PyNO) XB…”
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Matrix Isolation and Ab Initio Study of Trans−Trans and Trans−Cis Dimers of Formic Acid by Marushkevich, Kseniya, Khriachtchev, Leonid, Lundell, Jan, Domanskaya, Alexandra, Räsänen, Markku

“…Six trans−trans and five trans−cis dimeric structures of formic acid (HCOOH) are revealed by ab initio calculations. Four trans−trans and two trans−cis dimers…”
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Complexes of Glycolic Acid with Nitrogen Isolated in Argon Matrices. I. Structures and Thermal Effects by Kosendiak, Iwona, Ahokas, Jussi M E, Krupa, Justyna, Lundell, Jan, Wierzejewska, Maria

“…Molecular complexes between glycolic acid and nitrogen were studied in a low-temperature argon matrix with FTIR spectroscopy, and supported by MP2 and BLYPD3…”
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Students’ engagement in learning by indigenous knowledge-chemistry lesson by Anor, Charity Esenam, Lundell, Jan, Hanson, Ruby, Oppong, Emmanuel

“…This study was aimed at assessing students’ engagement in an integrated indigenous knowledge-chemistry lesson (IIK-CL) designed using the processes involved in…”
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Matrix-Isolation and ab Initio Study of HNgCCF and HCCNgF Molecules (Ng = Ar, Kr, and Xe) by Khriachtchev, Leonid, Domanskaya, Alexandra, Lundell, Jan, Akimov, Alexander, Räsänen, Markku, Misochko, Eugenii

“…We report three new noble-gas molecules prepared in low-temperature Kr and Xe matrices from the HCCF precursor by UV photolysis and thermal annealing. The…”
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Complexes of Glycolic Acid with Nitrogen Isolated in Argon Matrices. II. Vibrational Overtone Excitations by Kosendiak, Iwona, Ahokas, Jussi M E, Krupa, Justyna, Lundell, Jan, Wierzejewska, Maria

“…Structural changes of glycolic acid (GA) complex with nitrogen induced by selective overtone excitation of the νOH mode were followed in argon matrices using…”
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Conformational-Dependent Photodissociation of Glycolic Acid in an Argon Matrix by Ahokas, Jussi, Nikitin, Timur, Krupa, Justyna, Kosendiak, Iwona, Fausto, Rui, Wierzejewska, Maria, Lundell, Jan

“…Ultraviolet-induced photodissociation and photo-isomerization of the three most stable conformers (SSC, GAC, and AAT) of glycolic acid are investigated in a…”
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cis − trans Formic Acid Dimer:  Experimental Observation and Improved Stability against Proton Tunneling by Marushkevich, Kseniya, Khriachtchev, Leonid, Lundell, Jan, Räsänen, Markku

“…We prepared the first cis − trans dimer of formic acid and measured its vibrational spectrum in a low-temperature Ar matrix. This preparation was done by…”
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Experimental and Computational Study of HXeY···HX Complexes (X, Y = Cl and Br): An Example of Exceptionally Large Complexation Effect by Lignell, Antti, Lundell, Jan, Khriachtchev, Leonid, Räsänen, Markku

“…The complexes of xenon hydrides HXeY (Y = Cl and Br) with hydrogen halides HX (X = Cl and Br) have been studied both computationally and experimentally in a…”
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Fluorine-Free Organoxenon Chemistry:  HXeCCH, HXeCC, and HXeCCXeH by Khriachtchev, Leonid, Tanskanen, Hanna, Lundell, Jan, Pettersson, Mika, Kiljunen, Harri, Räsänen, Markku

“…Three novel Xe-containing organic compounds, HXeCCH, HXeCC (open-shell species), and HXeCCXeH, are identified using infrared absorption spectroscopy. They are…”
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Computational Structures and SAPT Interaction Energies of HXeSH···H2Y (Y=O or S) Complexes by Cukras, Janusz, Skóra, Grzegorz, Jankowska, Joanna, Lundell, Jan

“…Ab initio calculations of the structures, vibrational spectra and supermolecular and symmetry-adapted perturbation theory (SAPT) interaction energies of the…”
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A Gate to Organokrypton Chemistry:  HKrCCH by Khriachtchev, Leonid, Tanskanen, Hanna, Cohen, Arik, Gerber, R. Benny, Lundell, Jan, Pettersson, Mika, Kiljunen, Harri, Räsänen, Markku

“…An organic molecule containing krypton, HKrCCH, is reported. The preparation of HKrCCH includes 193-nm photolysis of H2C2/Kr solid mixtures at 8 K and…”
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A Chemical Compound Formed from Water and Xenon:  HXeOH by Pettersson, Mika, Khriachtchev, Leonid, Lundell, Jan, Räsänen, Markku

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IR Spectrum of the Other Rotamer of Formic Acid, cis-HCOOH by Pettersson, Mika, Lundell, Jan, Khriachtchev, Leonid, Räsänen, Markku

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Vibrational spectroscopy of cis- and trans-formic acid in solid argon by Maçôas, Ermelinda M.S., Lundell, Jan, Pettersson, Mika, Khriachtchev, Leonid, Fausto, Rui, Räsänen, Markku

“…Absorption spectra of cis and trans conformers of formic acid (HCOOH) isolated in solid argon are analyzed in the mid-infrared (4000– 400 cm −1 ) and…”
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