scholarly journals Study of structure and properties of platinum(II) chloride complexes with (2-alkyltetrazol-5-yl)acetic acid by quantum chemistry and NMR-spectroscopy methods

2019 ◽  
pp. 3-11
Author(s):  
Vitaly E. Matulis ◽  
Ekaterina G. Ragoyja ◽  
Tatiyana V. Serebryanskaya ◽  
Yuri V. Grigoriev ◽  
Oleg A. Ivashkevich
Keyword(s):  
Acetic Acid ◽  
Nmr Spectroscopy ◽  
Quantum Chemistry ◽  
1H Nmr ◽  
Nmr Spectra ◽  
Structure And Properties ◽  
Chloride Complexes ◽  
Nmr Spectrum ◽  
Hydrolysis Of ◽  
Tetrazole Derivatives

It has been shown that the WP04 functional in combination with moderate basic sets 6-31G(d) and SDD allows to calculate characteristics of 1H NMR-spectrum of metal complexes with ligands based on tetrazole derivatives with high accuracy, which can be used to assign signals in the NMR-spectra. The process of hydrolysis of the isomeric platinum(II) chloride complexes with (2-isopropyltetrazol-5-yl)acetic acid has been investigated using the methods of quantum chemistry and NMR-spectroscopy. An explanation of the changes of signals in the 1H NMR-spectra of the considered complexes during their hydrolysis is given.

1H NMR Spectrum: A Team-Based Tabletop Game for Molecular Structure Elucidation

2020 ◽  
Author(s):  
Zachary Thammavongsy ◽  
Michael A. Morris ◽  
Renee Link
Keyword(s):  
Nmr Spectroscopy ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
1H Nmr Spectra ◽  
Molecular Formula ◽  
College Level ◽  
Nmr Spectrum ◽  
Laboratory Course

The 1H NMR Spectrum game, the first example of a team-based tabletop game focused on elucidating the structures of organic small molecules using 1H NMR spectra, was developed and deployed in a college level organic chemistry lecture course and laboratory course. The tabletop game was designed as a collaborative and competitive group activity to encourage multiple rounds of play to help students reinforce their 1H NMR spectra interpretation skills. While playing in either team-based or free-for-all mode, students analyzed the provided chemical shifts, splitting patterns, integrations, and molecular formula within a designated time limit to correctly deduce the structure associated with the 1H NMR spectrum. After playing the game, students in a lecture course and a laboratory course self-reported that they felt more comfortable solving 1H NMR spectroscopy questions, found the game to be an appealing study aid, and were able to complete multiple rounds of play to strengthen their skills in interpreting 1H NMR spectra. The 1H NMR Spectrum tabletop game may serve as an engaging and competitive group learning tool to supplement teaching on 1H NMR spectroscopy.

1H NMR Spectrum: A Team-Based Tabletop Game for Molecular Structure Elucidation

2020 ◽  
Author(s):  
Zachary Thammavongsy ◽  
Michael A. Morris ◽  
Renee Link
Keyword(s):  
Nmr Spectroscopy ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
1H Nmr Spectra ◽  
Molecular Formula ◽  
College Level ◽  
Nmr Spectrum ◽  
Laboratory Course

The 1H NMR Spectrum game, the first example of a team-based tabletop game focused on elucidating the structures of organic small molecules using 1H NMR spectra, was developed and deployed in a college level organic chemistry lecture course and laboratory course. The tabletop game was designed as a collaborative and competitive group activity to encourage multiple rounds of play to help students reinforce their 1H NMR spectra interpretation skills. While playing in either team-based or free-for-all mode, students analyzed the provided chemical shifts, splitting patterns, integrations, and molecular formula within a designated time limit to correctly deduce the structure associated with the 1H NMR spectrum. After playing the game, students in a lecture course and a laboratory course self-reported that they felt more comfortable solving 1H NMR spectroscopy questions, found the game to be an appealing study aid, and were able to complete multiple rounds of play to strengthen their skills in interpreting 1H NMR spectra. The 1H NMR Spectrum tabletop game may serve as an engaging and competitive group learning tool to supplement teaching on 1H NMR spectroscopy.

scholarly journals 1H NMR Spectrum: A Team-Based Tabletop Game for Molecular Structure Elucidation

2020 ◽  
Author(s):  
Zachary Thammavongsy ◽  
Michael A. Morris ◽  
Renee Link
Keyword(s):  
Nmr Spectroscopy ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
1H Nmr Spectra ◽  
Molecular Formula ◽  
College Level ◽  
Nmr Spectrum ◽  
Laboratory Course

The 1H NMR Spectrum game, the first example of a team-based tabletop game focused on elucidating the structures of organic small molecules using 1H NMR spectra, was developed and deployed in a college level organic chemistry lecture course and laboratory course. The tabletop game was designed as a collaborative and competitive group activity to encourage multiple rounds of play to help students reinforce their 1H NMR spectra interpretation skills. While playing in either team-based or free-for-all mode, students analyzed the provided chemical shifts, splitting patterns, integrations, and molecular formula within a designated time limit to correctly deduce the structure associated with the 1H NMR spectrum. After playing the game, students in a lecture course and a laboratory course self-reported that they felt more comfortable solving 1H NMR spectroscopy questions, found the game to be an appealing study aid, and were able to complete multiple rounds of play to strengthen their skills in interpreting 1H NMR spectra. The 1H NMR Spectrum tabletop game may serve as an engaging and competitive group learning tool to supplement teaching on 1H NMR spectroscopy.

scholarly journals Assessment of 1H NMR Spectroscopy for Specific Metabolite Fingerprinting of Angelica sinensis

2008 ◽  
Vol 3 (5) ◽  
pp. 1934578X0800300
Author(s):  
Dongmin Su ◽  
Jinglan Han ◽  
Shishan Yu ◽  
Hailin Qin
Keyword(s):  
Nmr Spectroscopy ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Nmr Spectra ◽  
Authentic Sample ◽  
Angelica Sinensis ◽  
Metabolite Fingerprinting ◽  
H Nmr ◽  
Pure Compounds ◽  
Polar Extracts

The 1H NMR fingerprints of fractionated non-polar extracts (CSPD A) from the roots of Angelica sinensis of six different specimens were assigned by comparison with the 1H NMR spectra of the isolated pure compounds. The 1H NMR fingerprints showed exclusively characteristic resonance signals of the major constituents of the plant. The 1H NMR fingerprint established for an authentic sample of A. sinensis can be used for authenticating A. sinensis species.

Hydrolysis of Zirconium Propoxide by an Esterification Reaction

1992 ◽  
Vol 271 ◽  
Author(s):  
I. Laaziz ◽  
A. Larbot ◽  
C. Guizard ◽  
A. Julbe ◽  
L. Cot
Keyword(s):  
Acetic Acid ◽  
Light Scattering ◽  
Crystalline Structure ◽  
Structure Determination ◽  
Nmr Spectra ◽  
Esterification Reaction ◽  
Zirconium Propoxide ◽  
Size Growth ◽  
Hydrolysis Of

ABSTRACTZirconium propoxide hydrolysis was performed with the help of an esterification reaction using acetic acid. Products, obtained according to the value of hydrolysis ratio, are successively crystals, sols and gels or precipitates. The similarity of FUR and NMR spectra for crystals and gels allows to think that the arrangements of ligands around the zirconium atoms are close. The crystalline structure determination permits to precise the environment : acetate groups are always bridging and propoxy groups can be bridging or terminal. Clusters containing 9 zirconium atoms, bridged by oxygen atoms, exist in the structure. The colloid size growth was performed by light scattering. A discussion of the role of acetic acid and the competition between the possible reactions is given.

Das 7,8-Benzo-5-chloro-1,4,4-trimethyl-1-aza-4-azonia-6,9-dioxa-5 λ5-phosphaspiro[4.4]nonanyl-Kation: Röntgenstrukturanalyse und temperaturabhängige 1H-NMR-Spektren: The 7, 8-Benzo-5-chloro-1,4,4-trimethyl-1-aza-4-azonia-6,9-dioxa-5 λ).5-phosphaspiro[4.4]nonanyl Cation: X-Ray Crystal Structure Determination and Variable 1H NMR Spectra

1992 ◽  
Vol 47 (6) ◽  
pp. 755-759 ◽  
Author(s):  
Thomas Kaukorat ◽  
Peter G. Jones ◽  
Reinhard Schmutzler
Keyword(s):  
Crystal Structure ◽  
1H Nmr ◽  
Nmr Spectra ◽  
Crystal Structure Analysis ◽  
Acceptor Interaction ◽  
Nmr Spectrum ◽  
X Ray ◽  
H Nmr ◽  
Trigonal Bipyramidal ◽  
Donor Acceptor

The 1H NMR spectrum of the spirophosphorane 3 at room temperature indicates dynamic behaviour of the cation. The low-temperature 1H NMR spectra of 3 exhibit two sets of doublets for the protons of the diastereotopic N(CH3)2 groups. The free enthalpy of activation for the dynamic process was determined (58.6 KJ/mole). In the reaction of 3 with sodium tetraphenylborate the crystalline compound, 4, involving the non-coordinating anion, [B(C6H5)4]-, was obtained. The X-ray crystal structure analysis of 4 reveals the presence of a five-membered ring, formally as a result of intramolecular donor-acceptor interaction between the nitrogen atom of the N(CH3)2 group and phosphorus. The geometry at phosphorus deviates somewhat from ideal trigonal bipyramidal.

Light induced E–Z isomerization in a multi-responsive organogel: elucidation from 1H NMR spectroscopy

2015 ◽  
Vol 51 (53) ◽  
pp. 10680-10683 ◽  
Author(s):  
Sanjoy Mondal ◽  
Priyadarshi Chakraborty ◽  
Partha Bairi ◽  
Dhruba P. Chatterjee ◽  
Arun K. Nandi
Keyword(s):  
Mechanical Properties ◽  
Nmr Spectroscopy ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Nmr Spectra ◽  
H Nmr ◽  
Imine Bond

Light induced E–Z isomerization along imine bond in a multiresponsive organogel of anthracene attached 3,4,5-tris(dodecyloxy)benzohydrazide gelator altering morphology, fluorescence and mechanical properties is elucidated from 1H NMR spectra.

scholarly journals Synthesis of New Substituted Tetrazole and 4-Thiazolidinone from Schiff's Bases

2020 ◽  
Vol 63 (1) ◽  
pp. 1-11
Author(s):  
Amena Alyas Ahmed ◽  
Natiq Ghanim Ahmed ◽  
Ahmad Khuder Ahmad
Keyword(s):  
Acetic Acid ◽  
13C Nmr ◽  
Nmr Spectra ◽  
Glacial Acetic Acid ◽  
Thioglycolic Acid ◽  
Absolute Ethanol ◽  
13C Nmr Spectra ◽  
Schiff’S Bases ◽  
Schiff's Bases ◽  
Tetrazole Derivatives

  The present work involved the synthesis of compound (1) (1-amino-4-methyl-6-phenyl pyrimidine- 2-(1H)-thione). This compound reacts with different aromatic aldehyde using glacial acetic acid as catalytic on absolute ethanol to give a new series of Schiff's bases (2-7). New thiazolidine-4-one were prepared from reactions of Schiff's bases (2,3,4,7) with thioglycolic acid in absolute ethanol giving compounds (8-11). Finally the preparation of new tetrazole derivatives (12-15) by reaction of Schiff's bases (2,3,4,7) with sodium azide in THF. The structure of the synthesized compounds are confirmed by I.R., 1H-NMR and 13C-NMR spectra and some physical  data.  

SYNTHESIS, CHARACTERISATION AND ANTIFUNGAL ACTIVITYOF SOME NEWLY SYNTHESISED POLYSUBSTITUTED PYRAZOLES

INDIAN DRUGS ◽  
2017 ◽  
Vol 54 (10) ◽  
pp. 23-29
Author(s):  
A. Kumar ◽  
◽  
C. P. Singh
Keyword(s):  
Acetic Acid ◽  
Biological Activity ◽  
Antifungal Activity ◽  
Formic Acid ◽  
1H Nmr ◽  
Nmr Spectra ◽  
Acid Hydrazide ◽  
1H Nmr Spectra ◽  
Aryl Aldehyde

A novel series of polysubstituted pyrazoles were synthesised by the cyclization of (α phenoxy/octyl) acetyl aryl hydrazones in presence of formic acid, by refluxing (α-phenoxy/octyl) acetic acid hydrazide and substituted aryl aldehyde, using C2H5OH as solvent. The newly synthesised compounds were characterised by IR, 1H NMR spectra and also screened for their promising biological activity i.e. antifungal activity.

α-Methoxyphenyl acetic acid (MPA) for the configurational assignment of aromatic–heteroaromatic carbinols by 1H NMR spectroscopy

2005 ◽  
Vol 46 (33) ◽  
pp. 5593-5596 ◽  
Author(s):  
Cheng-yi Chen ◽  
Robert A. Reamer ◽  
Amélie Roy ◽  
Jennifer R. Chilenski
Keyword(s):  
Acetic Acid ◽  
Nmr Spectroscopy ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Configurational Assignment
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