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Journal articles on the topic 'IR-NMR spectroscopy'

Author: Grafiati

Published: 4 June 2021

Last updated: 6 February 2022

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1

Bashta, Bogdana, Volodymyr Donchak, Marta Plonska-Brzezinskа, Olena Astakhova, and Michael Bratychak. "Investigation of Functional Carboxy-Containing Oligomers by IR and NMR Spectroscopy." Chemistry & Chemical Technology 10, no. 2 (2016): 125–34. http://dx.doi.org/10.23939/chcht10.02.125.

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New functional oligomers have been synthesized via intereaction of epoxy oligomers with carboxylic ones or with dibasic carboxy acids. In some cases synthesis was accompanied by ROP-polymerization of DGEBA, initiated by carboxylic oligomer. The structure of obtained products was investigated by IR, 1Н and 13C NMR spectroscopy.

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2

Zubyk, Halyna, Marta Plonska-Brzezinska, Olena Shyshchak, Olena Astakhova, and Michael Bratychak. "Study of Phenol-Formaldehyde Oligomers Derivatives Structure by IR- and NMR-Spectroscopy." Chemistry & Chemical Technology 9, no. 4 (2015): 435–43. http://dx.doi.org/10.23939/chcht09.04.435.

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3

Pelzer, Stefanie, Beate Neumann, Hans-Georg Stammler, Nikolai Ignat’ev, Reint Eujen, and Berthold Hoge. "Synthesis and Characterization of Tetrakis(pentafluoroethyl)germane." Synthesis 49, no. 11 (2017): 2389–93. http://dx.doi.org/10.1055/s-0036-1589005.

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This paper describes the synthesis and comprehensive characterization of tetrakis(pentafluoroethyl)germane. In addition to a complete NMR spectroscopic characterization, including the rarely used 73Ge NMR spectroscopy, Ge(C2F5)4 was studied by IR spectroscopy, mass spectrometry as well as X-ray diffraction analysis. A 73Ge NMR investigation as well as an X-ray diffraction study of the related germane Ge(CF3)4 are also included.

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4

Bakhmutov, Vladimir I., Ekaterina V. Bakhmutova, Natalia V. Belkova, et al. "In-depth NMR and IR study of the proton transfer equilibrium between [{(MeC(CH2PPh2)3}Ru(CO)H2] and hexafluoroisopropanol." Canadian Journal of Chemistry 79, no. 5-6 (2001): 479–89. http://dx.doi.org/10.1139/v00-196.

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The (carbonyl)dihydride complex [(triphos)Ru(CO)H2] (2) has been synthesized by reaction of the ruthenate [(triphos)RuH3]K (triphos = MeC(CH2PPh2)3) with ethanol saturated with CO. A single crystal X-ray analysis and IR and NMR experiments have shown that 2 adopts in both the solid state and solution an octahedral coordination geometry with a facial triphos ligand, two cis terminal hydrides, and a terminal carbonyl. The reaction of hexafluoro-2-propanol (HFIP) with 2 has been studied in CH2Cl2 solution by IR and NMR spectroscopy. The proton donor interacts with a terminal hydride of 2 forming a rather strong hydrogen bond. The resulting H-bonded adduct [{(triphos)Ru(CO)(H)H}···{HOCH(CF3)2}] (2a) has fully been characterized by in situ NMR and IR techniques. Compound 2a is in equilibrium with the nonclassical η2-H2 complex [(triphos)Ru(CO)H(H2)]+ (2b), which can independently be prepared by protonation of 2 with a strong protic acid at low temperature. Unequivocal characterization of the dihydrogen complex (2b) has been achieved by a multifaceted spectroscopic investigation (Tobs1min = 0.005 s (200 MHz), JH,D [Formula: see text] 30 Hz, DQCC = 78.3 kHz). A combined IR and NMR study of the proton transfer reaction involving 2 and HFIP in CH2Cl2 to give, first, the H-bonded adduct (2a) and, then, the dihydrogen complex (2b) has demonstrated that all these species are in equilibrium in the temperature range from 190 to 260 K. The thermodynamic parameters for the formation of 2a have independently been determined by NMR and IR methods, while those for the formation of 2b have been obtained by IR spectroscopy. An energetic profile for the reaction sequence 2 [Formula: see text] 2a [Formula: see text] 2b is proposed and discussed.Key words: hydrides, hydrogen bonding, ruthenium, IR spectroscopy, NMR spectroscopy.

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5

Shah, A. M., and A. J. Rojivadiya. "Synthesis and Characterization of Imidazo[1,2-a]Pyrimidine." International Letters of Chemistry, Physics and Astronomy 52 (June 2015): 1–4. http://dx.doi.org/10.18052/www.scipress.com/ilcpa.52.1.

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An efficient protocol for the synthesis of imidazo [1,2-a] pyrimidine was developed by using three component one-pot Biginelli synthesis. The synthesized compounds were characterized by spectroscopic techniques like FT-IR, 1H NMR, 13C NMR, and mass spectroscopy.

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6

Bonjour, Jessica L., Alisa L. Hass, David W. Pollock, Aaron Huebner, and John A. Frost. "Bringing NMR and IR Spectroscopy to High Schools." Journal of Chemical Education 94, no. 1 (2016): 38–43. http://dx.doi.org/10.1021/acs.jchemed.6b00406.

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7

Shah, A. M., and A. J. Rojivadiya. "An Expeditious Synthesis of 1,2,4-Triazolo[1,5-a]Pyrimidine." International Letters of Chemistry, Physics and Astronomy 51 (May 2015): 1–4. http://dx.doi.org/10.18052/www.scipress.com/ilcpa.51.1.

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A simple, efficient, and diversity oriented synthesis of library of 1,2,4-triazolo [1,5-a] pyrimidine was undertaken using 5-amino,1,2,4-triazole as a building block. The synthesized analogues were fully characterized by known spectroscopic techniques like FT-IR, 1H NMR, 13C NMR, and mass spectroscopy.

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8

Lin, Whei Oh, Maria C. B. V. de Souza, and Helmut G. Alt. "Synthesis, Characterization and Complexation Studies with K + and Ca2+ Cations of trans-1.2-Cyclohexanedioxydiacetamides." Zeitschrift für Naturforschung B 43, no. 2 (1988): 165–70. http://dx.doi.org/10.1515/znb-1988-0206.

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The synthesis of trans-1.2-cyclohexanedioxydiacetamides starting with trans-1.2-cyclohexane-diol is described. Eleven of these compounds are characterized by IR, 1H NMR, 13C NMR and mass spectroscopy as well as elemental analyses. Most of these compounds are suitable ionophors for the cations K+ and Ca2+. The coordination sites of these ligands in the 1:2 complexes were determined by IR and NMR spectroscopy

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9

Nyquist, R. A., and G. L. Jewett. "IR and NMR Correlations for Alkyl Isocyanates." Applied Spectroscopy 46, no. 5 (1992): 841–42. http://dx.doi.org/10.1366/0003702924124790.

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Correlations are presented for υasym.NCO vs. δ(13C) for NCO, δ13C for NCO vs. the number of protons on the alkyl α-carbon atom, and υasym.NCO vs. the number of protons on the alkyl α-carbon atom for alkyl isocyanates. Correlations such as these are useful in the elucidation of unknown molecular structures containing the isocyanate group.

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10

Rana, Fazale R., Alan J. Mautone, and Richard A. Dluhy. "Combined Infrared and 31P NMR Spectroscopic Method for Determining the Fractional Composition in Langmuir-Blodgett Films of Binary Phospholipid Mixtures." Applied Spectroscopy 47, no. 7 (1993): 1015–23. http://dx.doi.org/10.1366/0003702934415318.

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A method has been developed to determine the exact fractional composition of binary mixtures of phospholipids at the air/water (A/W) interface by infrared spectroscopy in combination with 31P NMR spectroscopy and Langmuir-Blodgett surface chemistry. This procedure utilizes the wavenumber shift observed upon the synthetic replacement of hydrogen with deuterium in the lipid acyl chains to separate the vibrational bands due to each component in mixtures of deuterated and normally proteated lipids. Classical Langmuir-Blodgett monolayer transfer techniques are used to transfer the binary lipid mixture from the A/W interface onto Ge crystals, where their IR spectra may be obtained with the use of attenuated total reflectance (ATR) infrared spectroscopy. The ratio of the integrated areas for the symmetric C-H and C-D stretching vibrations in the IR spectrum of the transferred monolayer film is used to determine fractional composition empirically; these vibrational intensities can be related to fractional composition in the following way: First, the integrated area ratios of the symmetric C-H and C-D stretching vibrations are obtained from the IR spectra of a standard series of binary mixtures of proteated and deuterated lipids at varying mole ratios. Second, these integrated area ratios obtained from the IR spectra of standards are correlated with the exact mole fraction of each phospholipid component in the mixture. The exact mole fractions are determined by the intensities of the phospholipid peaks obtained from high-resolution, solution-phase 31P NMR signals of the same set of standard mixtures that was used to prepare the IR samples. High-resolution 31P NMR spectroscopy in the presence of a line-narrowing reagent is a method that can provide an independent spectroscopic means of determining mole ratios in a binary solution of phospholipids. This IR-NMR comparison method essentially establishes a calibration curve for the IR C-D:C-H integrated intensity ratio in the binary mixture versus mole fraction as determined by NMR. Third, the IR C-D:C-H ratio in monolayer films of the binary phospholipid mixture transferred from the A/W interface to Ge crystals may be used to calculate the mole fraction of each component on the basis of the IR-NMR calibrations established in the IR spectra of the binary mixture standards. This technique was used to measure the fractional composition of binary mixtures of phospholipids at the A/W interface containing acyl chain perdeuterated DPPC (i.e., DPPC-[d62]) in combination with acyl chain proteated DPPG. The Langmuir-Blodgett technique was used to transfer monomolecular films of DPPC-[d62]: DPPG mixtures to a Ge ATR crystal at 40 mN m−1. The mole fraction of each component was estimated from the relative intensities of the symmetric C-D and C-H stretching bands by the use of ATR-infrared spectroscopy in conjunction with the line-narrowed 31P NMR spectra of the phospholipid solutions. This model system was chosen for study due to its relevance in evaluating the proposed “squeezing out” mechanism of pulmonary surfactant physiology, in which the surfactant is proposed to reduce the surface tension of the air/alveolar lining by excluding all components except DPPC from the surface layer upon compression. Using this combined infrared/31P NMR calibration method, we find no evidence for the exclusion of any surface component upon compression of this mixed film.

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11

Domb, Avi. "Pharmaceutical Excipients – Characterization by IR, Raman, and NMR Spectroscopy." Journal of Controlled Release 67, no. 2-3 (2000): 417–18. http://dx.doi.org/10.1016/s0168-3659(00)00219-4.

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12

Brei, V. V. "Study of trimethylsilylated aerosil by IR and29Si NMR spectroscopy." Journal of Applied Spectroscopy 56, no. 3 (1992): 209–12. http://dx.doi.org/10.1007/bf00659096.

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13

Mamari, Hamad H. Al, and Anfal Al Hasani. "4’-Methyl-2’-(quinolin-8-ylcarbamoyl)-biphenyl-4-carboxylic Acid Ethyl Ester." Molbank 2020, no. 2 (2020): M1132. http://dx.doi.org/10.3390/m1132.

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In this short note communication, we report the synthesis of a novel amide 4’-methyl-2’-(quinolin-8-ylcarbamoyl)-biphenyl-4-carboxylic acid ethyl ester by the Ru-catalyzed C(sp2)-H bond arylation reaction. The catalytic C-H bond functionalization reaction was employed, amongst other reaction reagents and conditions, [RuCl2(p-cymene)]2 as a precatalyst and (p-tol)3P as a ligand. The arylation product was characterized by various spectroscopic methods (1H NMR, 13C NMR, IR, GC-MS, and IR spectroscopy), and its composition was confirmed by elemental analysis.

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14

Sun, Jian-Yun, and Tian-Cheng Li. "A New Norditerpenoid Alkaloid from Delphinium Densiflorum." Journal of Chemical Research 2009, no. 5 (2009): 306–7. http://dx.doi.org/10.3184/030823409x439681.

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A new norditerpenoid alkaloid delphidenine was isolated from the EtOH extract of the whole plants of Delphinium densiflorum. Its structure was established by extensive application of spectroscopic methods, including IR, HR-ESI-MS, 1D and 2D NMR spectroscopy.

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15

Bubert, Henning, Jörg Lambert, Stefan Steuernagel, Friedhelm Ahlers, and Rolf Wiermann. "Continuous Decomposition of Sporopollenin from Pollen of Typha angustifolia L. by Acidic Methanolysis." Zeitschrift für Naturforschung C 57, no. 11-12 (2002): 1035–41. http://dx.doi.org/10.1515/znc-2002-11-1214.

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Sporopollenin from the pollen of Typha angustifolia L. was exposed to a series of 36 subsequent acidic methanolysis procedures. The remaining decomposition products were investigated using several spectroscopic methods including Fourier transform infrared spectroscopy (FT-IR), solid state 13C nuclear magnetic resonance spectroscopy (13C-CPMAS-NMR) and X-ray photoelectron spectrometry (XPS). Substantial weight losses of the sporopollenin material occur after each acidic methanolysis step, while FT-IR and 13C-CPMAS-NMR spectra display no noticeable differences after 12, 24 and 36 steps. These findings are interpreted as a hint that the sporopollenin polymer has a uniform composition, i.e. relatively small monomer moieties of similar primary structure are present. Moreover, the weight losses account for the presence of substantial amounts of ether linkages in the sporopollenin polymer.

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16

Jadhav, Ankita S., Ashvini U. Chaudhari, Kisan M. Kodam, and Dipalee D. Malkhede. "Photophysical and NMR studies of encapsulation of 2-cyano-6-hydroxy benzothiazole in p-sulfonatocalix[6]arene and its biological applications." Analyst 146, no. 17 (2021): 5294–306. http://dx.doi.org/10.1039/d1an00770j.

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Study of inclusion complexation of 2-cyano-6-hydroxy benzothiazole and p-sulfonatocalix[6]arene by UV-visible absorption spectroscopy, steady-state fluorescence spectroscopy, HR-MS, FT-IR, NMR, 2D NMR, and FESEM analysis and its biological activity.

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17

Boughendjioua, Hicham, Nadia Amoura, and Zahra Boughendjioua. "Purity Specifications of Constituents of Cinnamon Essential Oil by Fourier Transformed Infrared Spectroscopy Analysis." Indian Journal of Pharmaceutical and Biological Research 5, no. 02 (2017): 36–40. http://dx.doi.org/10.30750/ijpbr.5.2.7.

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Three main tools are used to determine the structures of organic molecules. These tools are infrared (IR) spectroscopy, mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy. Infrared Spectroscopy (IR), Mass Spectrometry (MS) and Nuclear Magnetic Resonance Spectroscopy (NMR). Organic molecules absorb light (infrared, ultraviolet, etc.) at particular wavelengths based on different vibrational modes unique to the specific functional groups and structural features. In the present study, the volatile compounds of Cinnamon (Cinnamomum zeylanicum) were detected and identified by Fourier Transformed Infrared Spectroscopy (FTIR) analysis. FTIR allowed us to identify 10 volatile compounds and indicated than the functional groups of the essential oils are CHx, C=C and C=O.

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18

Gao, Xue, and Xiaohong Deng. "A new eudesmane sesquiterpene from Senecio cannabifolius." Journal of Chemical Research 2009, no. 7 (2009): 457–58. http://dx.doi.org/10.3184/030823409x465303.

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A new eudesmane sesquiterpene was isolated from the roots of Senecio cannabifolius. Its structure was established as 1-oxo-5α, 7αH-eudesma-3-en-15-al on the basis of spectroscopic data, including IR, EI-MS, HR-ESI-MS, 1D and 2D NMR spectroscopy.

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19

Elguero, José, Manuel Gil, Nerea Iza, Carmen Pardo, and Mar Ramos. "FT-IR and 13C-NMR Correlations for Some N-Substituted Azoles and Benzazoles." Applied Spectroscopy 49, no. 8 (1995): 1111–19. http://dx.doi.org/10.1366/0003702953965029.

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The FT-IR (in carbon tetrachloride) and 13C-NMR (in deuterochloroform) spectra of six p-substituted aniline derivatives, as reference compounds, and nine 1- p-aminophenyl-azoles and benzazoles were recorded. The measured spectral parameters from FT-IR were symmetric, vs(NH2), and antisymmetric, vas(NH2), stretching fundamentals and their band intensity ratio, A( vas)/ A( vs), while the corresponding 13C-NMR parameters were C-1 to C-4 chemical shifts of 1- p-aminophenyl carbons. Different IR and 13C-NMR spectral parameters and Hammett constants σp (or σp-) were correlated, and statistic analysis of the results permitted an estimation of σp values of the nine (azol-1-yl) substituents. An empirical equation to calculate the Hammett constants of new azoles and benzazoles is proposed.

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20

Coleman, W. M., Bert M. Gordon, and Brian M. Lawrence. "Examinations of the Matrix Isolation Fourier Transform Infrared Spectra of Organic Compounds: Part XII." Applied Spectroscopy 43, no. 2 (1989): 298–304. http://dx.doi.org/10.1366/0003702894203273.

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Matrix isolation Fourier transform infrared spectra (MI/FT-IR), mass spectra (MS), carbon-13 Nuclear Magnetic Resonance (13C-NMR) spectra, condensed-phase infrared spectra, and vapor-phase infrared (IR) spectra are presented for a series of terpene compounds. Subtle differences in positional and configurational isomers commonly found with terpenes could be easily detected by the MI/FT-IR spectra. The results are comparable in some aspects to those obtainable from 13C-NMR and thin-film IR; however, most importantly, they are acquired at the low nanogram level for MI/FT-IR, as compared to the milligram level for the other techniques. These results represent an advance in the technology available for the analysis of complex mixtures such as essential oils containing terpene-like molecules.

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21

Petkovic-Cvetkovic, Jelena, Bojan Bozic, Nebojsa Banjac, et al. "Spectroscopic and quantum chemical elucidation of newly synthesized 1-aryl-3-methyl-3-phenylpyrrolidine-2,5-diones as potentional anticonvulsant agents." Chemical Industry 73, no. 2 (2019): 125–37. http://dx.doi.org/10.2298/hemind190214011p.

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Novel succinimide derivatives were synthesized from 3-methyl-3-phenylsuccinic acid and substituted anilines under solvent-free conditions using the microwave irradiation. All obtained compounds were characterized by the UV, FT-IR, 1H and 13? NMR spectroscopy as well as by elemental analysis. The influence of the substituent electronic effects on the spectroscopic data has been analyzed applying the Hammett equation. Moreover, a detailed interpretation and comparison of experimentally obtained and theoretically calculated FT-IR, UV and NMR spectra have been performed. DFT calculated data of the investigated succinimides are obtained and analyzed in order to determine their structural, spectroscopic and electronic properties. Furthermore, ADMET factor profiling and in-silico prediction of potential biological activities of novel succinimide derivatives have been performed.

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22

Védova, C. O. Della, H. G. Mack, and A. Ben Altabef. "Fourier transform IR, matrix fourier transform IR, Raman, 13C NMR, 1H NMR and mass spectroscopic study of acetyl isocyanate." Journal of Raman Spectroscopy 24, no. 9 (1993): 621–25. http://dx.doi.org/10.1002/jrs.1250240911.

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23

Byrd, James E. "Introduction to Spectroscopy, IR, NMR, and CMR (Clough, Fred W.)." Journal of Chemical Education 67, no. 7 (1990): A194. http://dx.doi.org/10.1021/ed067pa194.

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24

Ebdon, J. R. "Advances in polymer science 54, spectroscopy: NMR, fluorescence, FT-IR." TrAC Trends in Analytical Chemistry 4, no. 6 (1985): XXII. http://dx.doi.org/10.1016/0165-9936(85)88013-4.

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25

Clark, Roy W. "An Audio Analogy To FT-NMR and FT-IR Spectroscopy." Chemical Educator 5, no. 6 (2000): 306–11. http://dx.doi.org/10.1007/s00897000427a.

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26

Stojkovic, Danijela, Alessia Bacchi, Davide Capucci, et al. "Synthesis and characterization of palladium(II) complexes with glycine coumarin derivatives." Journal of the Serbian Chemical Society 81, no. 12 (2016): 1383–92. http://dx.doi.org/10.2298/jsc160915087s.

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A Pd(II) complex with methyl 2-((1-(2,4-dioxochroman-3-ylidene)ethyl)amino)acetate was synthesized. The structures of both the ligand and Pd(II) complex were determined by elemental analysis, IR and NMR spectroscopy. Recrystallization of Pd(II) complex from DMF/water solution resulted in its hydrolysis and formation of dimethylamine-(2-((1-(2,4-dioxochroman-3-ylidene)ethyl)amino)acetato)palladium(II) complex, the structure of which was determined by elemental analysis, IR, 1H and 13C NMR spectroscopy, as well as X-ray analysis.

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27

Cha, Seoncheol, and Doseok Kim. "Anion exchange in ionic liquid mixtures." Physical Chemistry Chemical Physics 17, no. 44 (2015): 29786–92. http://dx.doi.org/10.1039/c5cp04276c.

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28

Szmatoła, Michał, Justyna Chrobak, Rafał Grabowski, et al. "Spectroscopic Methods in the Evaluation of Modified Vegetable Base Oils from Crambe abyssinica." Molecules 23, no. 12 (2018): 3243. http://dx.doi.org/10.3390/molecules23123243.

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Raw vegetable oil from Crambe abyssinica was subjected to oxidative treatment to enhance its viscosity. The oxidation processes were carried out in the presence of N-hydroxyphthalimide with or without supercritical CO2 as a solvent. Four spectroscopic techniques (Raman, UV-VIS, FT-IR, NMR) were applied to assess the chemical changes taking place during the oxidation. Raman and NMR spectroscopy proved best in the assessment of the chemical transformations leading to increased viscosity of the modified vegetable oil.

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29

Or Rashid, Md Harun, Md Abdul Gafur, Md Moklesur Rahman Sarker, and Nurul Karim. "A Spinasteryl Glycoside from Ipomoea turpethum L. Herb (Stem) Growing in Bangladesh." Journal of Bangladesh Academy of Sciences 36, no. 1 (2012): 13–17. http://dx.doi.org/10.3329/jbas.v36i1.10906.

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Chromatographic purification and spectroscopic analysis of the constituents from the stem extract of Ipomoea turpethum L. reported 22, 23-dihydro-?-spinasteryl-?-D glucoside (H-1) in addition to salicylic acid and N-p-comaryltyramine. The structures were elucidated by spectroscopic analysis including 1H-NMR and 13C-NMR, 1H-1H COSY, 1H-13C COSY, HMQC, HMBC, UV and IR spectroscopy. 22, 23-dihydro-?-spinasteryl-?-D-glucoside is first reported from Ipomoea turpethum. DOI: http://dx.doi.org/10.3329/jbas.v36i1.10906 Journal of Bangladesh Academy of Sciences, Vol. 36, No. 1, 13-17, 2012

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Nyquist, R. A. "IR and/or NMR Spectra-Structure Correlations for Organophosphorus Compounds." Applied Spectroscopy 42, no. 5 (1988): 854–64. http://dx.doi.org/10.1366/0003702884428932.

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31

Zacharopoulos, Nikolaos, Konstantinos Koukoulakis, Evangelos Bakeas, and Athanassios I. Philippopoulos. "A 2-(2’-pyridyl)quinoline ruthenium(II) complex as an active catalyst for the transfer hydrogenation of ketones." Open Chemistry 14, no. 1 (2016): 308–15. http://dx.doi.org/10.1515/chem-2016-0034.

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AbstractThe ruthenium(II) complex cis-[RuCl2(PPh3)2(L1)] (1) where L1 = 2-(2’-pyridyl)quinoline was obtained in high yield from the reaction of [RuCl2(PPh3)3] with L1. The new compound was characterized by different spectroscopic methods including FT-IR, UV-Vis, NMR (1H, 31P) spectroscopy along with a mass spectrometric analysis (ESI-MS) and conductivity measurements. 31P NMR spectroscopy provided evidence that the two PPh3 ligands are orientated trans to each other in an octahedral environment. Complex (1) was tested in the transfer hydrogenation of various ketones in 2-propanol at 82 oC. The catalytic activity of (1) displayed quantitative conversions for benzophenone and 4-chloroacetophenone.

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32

Dai, Ling-Ling, Hui-Zhen Zhang, Sangaraiah Nagarajan, Syed Rasheed, and Cheng-He Zhou. "Synthesis of tetrazole compounds as a novel type of potential antimicrobial agents and their synergistic effects with clinical drugs and interactions with calf thymus DNA." MedChemComm 6, no. 1 (2015): 147–54. http://dx.doi.org/10.1039/c4md00266k.

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33

Rahman, S. M. Mizanur, Swati Shabnom, M. Abdul Quader, and M. Amzad Hossain. "PHYTOCHEMICAL STUDY ON THE ETHYLACETATE EXTRACT OF THE LEAVES OF Mesua ferrea LINN." Indonesian Journal of Chemistry 8, no. 2 (2010): 242–44. http://dx.doi.org/10.22146/ijc.21637.

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Furano-napthyl-hydroxy cyclohexyl type of compound was isolated first times in plant from the ethyl extracts of the leaves of Mesua ferrea. The structure of the compound has been established by the modern spectroscopic techniques such as UV, IR, 1H-NMR, 13C-NMR and mass spectroscopy and identified as 12, 13-furano-8-hydroxy napthyl-6-0-b-2',3',4',6' tetrahydroxy-5',5' dimethyl cyclohexyl ether. Keywords: Mesua ferrea Linn; Euphorbiaceae; Medicinal plant; new compound; spectral analysis

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34

Mei, Haozheng, Junqing Yang, Wenli Cao, Yong Hu, Piao He, and Jian-Guo Zhang. "A new oxygen-rich energetic salt dihydrazine tetranitroethide: a promising explosive alternative with high density and good performance." RSC Advances 10, no. 39 (2020): 23250–53. http://dx.doi.org/10.1039/d0ra04167j.

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A novel high-energy salt with good oxygen balance, dihydrazine tetranitroethide (5), has been synthesized and characterized by FT-IR spectroscopy, NMR spectroscopy, elemental analysis, and X-ray single crystal diffraction.

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35

Tayade, Kundan, Banashree Bondhopadhyay, Hemant Sharma, et al. "“Turn-on” fluorescent chemosensor for zinc(ii) dipodal ratiometric receptor: application in live cell imaging." Photochem. Photobiol. Sci. 13, no. 7 (2014): 1052–57. http://dx.doi.org/10.1039/c4pp00034j.

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A dipodal ligand 2,2′-((ethane-1,2-diylbis(azanediyl))bis(ethane-1,1-diyl))diphenol was synthesized through a condensation reaction and was characterized with IR, <sup>1</sup>H NMR, <sup>13</sup>C-NMR, and mass spectroscopy.

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36

Khan, Raihana Imran, та Kasi Pitchumani. "A pyridinium modified β-cyclodextrin: an ionic supramolecular ligand for palladium acetate in C–C coupling reactions in water". Green Chemistry 18, № 20 (2016): 5518–28. http://dx.doi.org/10.1039/c6gc01326k.

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An ionic Pd(ii) complex stabilized by a water soluble pyridinium modified β-cyclodextrin was prepared and characterized by NMR, mass spectrometry, FT-IR spectroscopy, UV-visible spectroscopy and DLS (dynamic light scattering).

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37

SANDERS, LORI K., WILLIAM D. ARNOLD, and ERIC OLDFIELD. "NMR, IR, Mössbauer and quantum chemical investigations of metalloporphyrins and metalloproteins." Journal of Porphyrins and Phthalocyanines 05, no. 03 (2001): 323–33. http://dx.doi.org/10.1002/jpp.319.

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We review contributions made towards the elucidation of CO and O 2 binding geometries in respiratory proteins. Nuclear magnetic resonance, infrared spectroscopy, Mössbauer spectroscopy, X-ray crystallography and quantum chemistry have all been used to investigate the Fe –ligand interactions. Early experimental results showed linear correlations between 17 O chemical shifts and the infrared stretching frequency (νCO) of the CO ligand in carbonmonoxyheme proteins and between the 17 O chemical shift and the 13CO shift. These correlations led to early theoretical investigations of the vibrational frequency of carbon monoxide and of the 13 C and 17 O NMR chemical shifts in the presence of uniform and non-uniform electric fields. Early success in modeling these spectroscopic observables then led to the use of computational methods, in conjunction with experiment, to evaluate ligand-binding geometries in heme proteins. Density functional theory results are described which predict 57 Fe chemical shifts and Mössbauer electric field gradient tensors, 17 O NMR isotropic chemical shifts, chemical shift tensors and nuclear quadrupole coupling constants (e2qQ/h) as well as 13 C isotropic chemical shifts and chemical shift tensors in organometallic clusters, heme model metalloporphyrins and in metalloproteins. A principal result is that CO in most heme proteins has an essentially linear and untilted geometry (τ = 4 °, β = 7 °) which is in extremely good agreement with a recently published X-ray synchrotron structure. CO / O 2 discrimination is thus attributable to polar interactions with the distal histidine residue, rather than major Fe–C–O geometric distortions.

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38

Novoměstská, Věra, Eckhard Herrmann, Přemysl Lubal, and Jiří Příhoda. "Syntheses of New Triethylene Glycol Bis(alkyl Phosphate)s as Potential Complexing Agents." Collection of Czechoslovak Chemical Communications 66, no. 4 (2001): 621–30. http://dx.doi.org/10.1135/cccc20010621.

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A series of triethylene glycol bis(alkyl phosphate)s HO(RO)P(O)(OCH2CH2)3OP(O)(OR)OH 4 (R = octyl (4a), 1-methylheptyl (4b), 2-ethylhexyl (4c), nonyl (4d), decyl (4e), dodecyl (4f), hexadecyl (4g), octadecyl (4h)) has been synthesized with the expectation that these compounds could be effective complexing and/or extraction agents for metal cations. The compounds were characterized by 31P NMR, 1H NMR, 13C NMR and IR spectroscopy, MALDI-TOF mass spectroscopy and elemental analysis.

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39

Bobáľ, Pavel, Roman Gažo, Rudolf Kada, Dušan Ilavský, Naďa Prónayová, and Lubomír Zalibera. "Condensation Reactions of 1,2,3,4-Tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinecarbaldehyde." Collection of Czechoslovak Chemical Communications 60, no. 4 (1995): 605–11. http://dx.doi.org/10.1135/cccc19950605.

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Condensation reactions of 1,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinecarbaldehyde with nine acid derivatives containing an active methylene group are described. The obtained products were characterized by their IR, UV, 1H NMR, 13C NMR and mass spectra. The stereochemistry of selected products was studied by 1H and 13C NMR spectroscopy.

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40

Nadler, Melvin P., Robin A. Nissan, and Richard A. Hollins. "FT-IR and FT-NMR Study of Organophosphorus Surface Reactions." Applied Spectroscopy 42, no. 4 (1988): 634–42. http://dx.doi.org/10.1366/0003702884429463.

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Fourier transform infrared (FT-IR) and Fourier transform nuclear magnetic resonance (FT-NMR) methods were used to examine the adsorption and reaction of diisopropyl fluorophosphate (DFP) on various solid adsorbents. Static and flow system experiments were monitored with the use of FT-IR to determine DFP adsorption rates and isotherms on silica, coated silicas, γ-alumina, coated aluminas, and activated charcoal. The adsorption of DFP(g) onto the solid adsorbents was generally very rapid, with a half-life of 20 s for 1 mg DFP onto 25 mg of 350 m2/g silica. The DFP adsorption isotherm on silica indicated chemisorption to a monolayer at P/ P0 < 0.6, followed by increased coverage that appears to be physical adsorption. Diffuse reflectance infrared Fourier transform (DRIFT) spectroscopy, photoacoustic spectroscopy (PAS), and solid-state 31P NMR of adsorbed DFP showed chemisorption on silica and on alumina. Bonding at the P=O of DFP was indicated by a −41 cm−1 shift in the v(P=O) and a 1-ppm upfield shift in the 31P resonance. DRIFT, PAS kinetics, and 31P NMR showed that DFP hydrolyzed after the initial adsorption on alumina and some coated materials but not on silica or activated charcoal. The rate of hydrolysis increased on alumina with addition of water and varied with different aluminas and coated silicas.

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41

Nyquist, Richard A. "IR and/or NMR Spectra-Structure Correlations for Organonitrogen-Containing Compounds." Applied Spectroscopy 42, no. 4 (1988): 624–34. http://dx.doi.org/10.1366/0003702884429193.

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42

Roy, Kanak, Subhadeep Saha, Biswajit Datta, Lovely Sarkar, and Mahendra Nath Roy. "Study on Host-Guest Inclusion Complexation of a Drug in Cucurbit [6]uril." Zeitschrift für Physikalische Chemie 232, no. 2 (2018): 281–93. http://dx.doi.org/10.1515/zpch-2017-0003.

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AbstractAssembly of pyridine-2-aldoxime drug with cucurbit [6]uril (CB[6]) has been investigated by1H-NMR and 2D-ROESY NMR, UV-Vis spectroscopy, FT-IR spectroscopy, surface tension and conductivity measurements in aqueous saline environment. The distinct cationic receptor feature and the cavity dimension of the CB[6] emphasize that the macro-cyclic host molecule remain as complex with the nerve stimulus drug molecule. The results obtained from surface tension and specific conductivity measurements suggest 1:1 inclusion complex formation between drug and CB[6]. The stability constant evaluated by UV-Vis spectroscopic approach is 2.21×105M−1at 298.15 K, which indicates that the complex is sufficiently stable at physiological temperature.

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43

Bajju, Gauri D., Deepmala, Sunil Kumar Anand, Sujata Kundan, and Narinder Singh. "Electrochemical and Spectroscopic Characterization of Aluminium(III)-para-methyl-meso-tetraphenylporphyrin Complexes Containing Substituted Salicylates as Axial Ligands." International Journal of Electrochemistry 2013 (2013): 1–10. http://dx.doi.org/10.1155/2013/409375.

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A series of aluminium(III)-p-methyl-meso-tetraphenylporphyrin (p-CH3TPP-Al(III)) containing axially coordinated salicylate anion [p-CH3TPP-Al-X)], where X = salicylate (SA), 4-chlorosalicylate (4-CSA), 5-chlorosalicylate (5-CSA), 5-flourosalicylate (5-FSA), 4-aminosalicylate (4-ASA), 5-aminosalicylate (5-ASA), 5-nitrosalicylate (5-NSA), and 5-sulfosalicylate (5-SSA), have been synthesized and characterized by various spectroscopic techniques including ultraviolet-visible (UV-vis), infrared (IR) spectroscopy, proton nuclear magnetic resonance (1H NMR) spectroscopy,13C NMR, and elemental analysis. A detailed study of electrochemistry of all the synthesized compounds has been done to compare their oxidation and reduction mechanisms and to explain the effect of axial coordination on their redox properties.

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44

Trupp, Leandro, Andrea C. Bruttomesso, and Beatriz C. Barja. "Simple dissymmetrical and asymmetrical Tröger's bases: photophysical and structural characterization." New Journal of Chemistry 44, no. 26 (2020): 10973–81. http://dx.doi.org/10.1039/d0nj01988g.

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45

Almeida, Celso, Somaia Elsaedi, Stefan Kehraus, and Gabriele M. König. "Novel Bisabolane Sesquiterpenes from the Marine-derived Fungus Verticillium tenerum." Natural Product Communications 5, no. 4 (2010): 1934578X1000500. http://dx.doi.org/10.1177/1934578x1000500401.

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Chemical investigations of the marine-derived fungus Verticillium tenerum yielded two new hydroxylated bisabolane-type sesquiterpenes verticinol A (1) and B (2). The planar structures of the new compounds were elucidated by employing spectroscopic (NMR, UV, and IR) and mass spectrometric techniques. The absolute configuration of the cyclohexenyl moiety was deduced by a combination of CD spectroscopy and NOESY measurements.

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46

Kovac, N., O. Bajt, J. Faganeli, B. Sket, and B. Orel. "Study of macroaggregate composition using FT-IR and 1H-NMR spectroscopy." Marine Chemistry 78, no. 4 (2002): 205–15. http://dx.doi.org/10.1016/s0304-4203(02)00033-6.

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47

Ball, G. E., T. A. Darwish, S. Geftakis, et al. "Characterization of an organometallic xenon complex using NMR and IR spectroscopy." Proceedings of the National Academy of Sciences 102, no. 6 (2005): 1853–58. http://dx.doi.org/10.1073/pnas.0406527102.

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48

Su, Jie, Jie Liang, Yingxia Wang, et al. "PKU-14: combining X-ray powder diffraction, NMR and IR spectroscopy." Acta Crystallographica Section A Foundations of Crystallography 69, a1 (2013): s113. http://dx.doi.org/10.1107/s0108767313099029.

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49

El Rassy, H., and A. C. Pierre. "NMR and IR spectroscopy of silica aerogels with different hydrophobic characteristics." Journal of Non-Crystalline Solids 351, no. 19-20 (2005): 1603–10. http://dx.doi.org/10.1016/j.jnoncrysol.2005.03.048.

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50

Hemmingson, Jacqueline A., and Herbert Wong. "Characterization of Photochemically Degraded Newsprint Solubles by13C NMR and IR Spectroscopy." Holzforschung 43, no. 2 (1989): 141–47. http://dx.doi.org/10.1515/hfsg.1989.43.2.141.

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