Conformation and Hydrogen Bonding Properties of an Aziridinyl Peptide:  X-ray Structure Analysis, Raman Spectroscopy and Theoretical Investigations

2004 ◽  
Vol 108 (51) ◽  
pp. 11398-11408 ◽  
Author(s):  
Tanja Schirmeister ◽  
Alexander Breuning ◽  
Alexander Murso ◽  
Dietmar Stalke ◽  
Milena Mladenovic ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Hydrogen Bonding ◽  
Structure Analysis ◽  
X Ray ◽  
Theoretical Investigations ◽  
Bonding Properties

scholarly journals Protein Dynamics in an Intermediate State of Myoglobin: Optical Absorption, Resonance Raman Spectroscopy, and X-Ray Structure Analysis

2000 ◽  
Vol 78 (4) ◽  
pp. 2081-2092 ◽  
Author(s):  
Niklas Engler ◽  
Andreas Ostermann ◽  
Alexandra Gassmann ◽  
Don C. Lamb ◽  
Valeri E. Prusakov ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Optical Absorption ◽  
Protein Dynamics ◽  
Structure Analysis ◽  
Intermediate State ◽  
Resonance Raman Spectroscopy ◽  
Resonance Raman ◽  
X Ray ◽  
Absorption Resonance

scholarly journals Sensitive X-ray Absorption Near Edge Structure Analysis on the Bonding Properties of Au30(SR)18 Nanoclusters

ACS Omega ◽  
2018 ◽  
Vol 3 (11) ◽  
pp. 14981-14985 ◽  
Author(s):  
Rui Yang ◽  
David J. Morris ◽  
Tatsuya Higaki ◽  
Matthew J. Ward ◽  
Rongchao Jin ◽  
...  
Keyword(s):  
Structure Analysis ◽  
Edge Structure ◽  
X Ray ◽  
Bonding Properties ◽  
X Ray Absorption

Notizen: Zum Verständnis der zentralen Rolle des Schwefels in Multi-Metall-Aggregaten mit verschiedener Elektronenpopulation: [S2WS2CoS2WS2]n- (n = 2, 3)/On the Central Role of Sulfur in Multi Metal Aggregates with Different Electron Populations: [S2WS2CoS2WS2]n-(n = 2, 3)

1983 ◽  
Vol 38 (4) ◽  
pp. 528-529 ◽  
Author(s):  
Achim Müller ◽  
Winfried Hellmann ◽  
Uwe Schimanski ◽  
Rainer Jostes ◽  
William E. Newton
Keyword(s):  
Structure Analysis ◽  
Electron Population ◽  
X Ray ◽  
Ligand System ◽  
Physical Measurements ◽  
Theoretical Investigations ◽  
Additional Charge ◽  
Metal Ligand

Abstract The hetero metal sulfur aggregates [Co(WS4)2] n- (with variable electron population: n = 2, 3) could be isolated as salts and characterized by physical measurements (in-cluding X-ray structure analysis). Experimental and theoretical investigations show that due to a strong metal → ligand electron delocalisation WS42-(like MOS42-) is a non-innocent ligand and that the additional charge upon reduction is located mainly at the S atoms of the ligand system.

Refinement of the layered titanosilicate AM-1 from single-crystal X-ray diffraction data

2007 ◽  
Vol 63 (11) ◽  
pp. i186-i186 ◽  
Author(s):  
Stanislav Ferdov ◽  
Uwe Kolitsch ◽  
Christian Lengauer ◽  
Ekkehart Tillmanns ◽  
Zhi Lin ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Hydrogen Bonding ◽  
Single Crystal ◽  
Single Crystals ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
First Time ◽  
Ir And Raman ◽  
Bonding Scheme

The structure of the layered noncentrosymmetric titanosilicate AM-1 (also known as JDF-L1, disodium titanium tetrasilicate dihydrate), Na4Ti2Si8O22·4H2O, grown as small single crystals without the use of organics, has been refined from single-crystal X-ray diffraction data. The H atom has been located for the first time, and the hydrogen-bonding scheme is also characterized by IR and Raman spectroscopy. All atoms are in general positions except for the Na, the Ti, one Ti-bound O, one Si-bound O and the water O atoms (site symmetries 2, 4, 4, 2 and 2, respectively).

scholarly journals Adduct formed by chromium trioxide and zwitterionic quinolinic acid

2010 ◽  
Vol 8 (3) ◽  
pp. 486-493
Author(s):  
Markku Sundberg ◽  
Rolf Uggla ◽  
Reijo Sillanpää ◽  
Krzysztof Zborowski ◽  
Angel Sánchez-González ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Quinolinic Acid ◽  
Title Compound ◽  
Chromium Trioxide ◽  
Total Charge ◽  
X Ray Diffraction ◽  
X Ray ◽  
Degree Of Aromaticity ◽  
Bonding Properties ◽  
Total Charge Density

AbstractChromium trioxide forms an adduct with zwitterionic quinolinic acid. The structure of the product was found to be (quinolinium-3-carboxylato-O)trioxidochromium(VI), determined by single-crystal X-ray diffraction methods. To evaluate the bonding properties of the compound, its structure was optimized at the B3LYP/6-311G* level of theory. The electronic characteristics were investigated by topological methods applied to the total charge density in various model compounds including the title compound, title compound with a HF molecule presenting a hydrogen bonding and anionic moiety. Calculated aromaticity indices indicate that the quinolinic rings tend to conserve their degree of aromaticity against hydrogen bonding. However, when there is hydrogen bonding involving an N-H bond or when the quinolinium zwitterion is deprotonated, there are clear changes in the interaction between chromium trioxide and the quinolinic moiety.

Synthesis and X-ray Crystal Studies of 6-(2-chlorophenyl)-3-methyl[1,2,4] triazolo[4,5-b][1,3,4]thiadiazole

2005 ◽  
Vol 2005 (4) ◽  
pp. 238-239 ◽  
Author(s):  
Shivananju Nanjunda-Swamy ◽  
Basappa ◽  
Gangadharaiah Sarala ◽  
Basappa Prabhuswamy ◽  
Sridhar M. Anandalwar ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Structure Analysis ◽  
Title Compound ◽  
Molecular Hydrogen ◽  
Crystal Structure Analysis ◽  
Spectroscopic Techniques ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

The compound 6-(2-chlorophenyl)-3-methyl[1,2,4]triazolo[4,5-b][1,3,4]thiadiazole, was synthesised using different reagents and conditions, characterised by spectroscopic techniques and finally confirmed by X-ray crystal structure analysis. The title compound crystallises in monoclinic class under the space group P21/c with cell parameters, a=10.6710 (6)Å, b=7.3660 (4)Å, c=14.3900 (8)Å, β=110.403 (3)°, Z=2 and R1= 0.0396 for 2715 reflections [I>2ΣI]. The structure exhibits inter-molecular hydrogen bonding.

scholarly journals The Crystal Structure of a Spirocyclic Cyclophosphazene N3P3(NMe2)4(NHCH2CH2NH) - Evidence for Intermolecular Hydrogen Bonding

1978 ◽  
Vol 33 (6) ◽  
pp. 588-589 ◽  
Author(s):  
Y. Sudhakara Babu ◽  
H. Manohar ◽  
K. Ramachandran ◽  
S. S. Krishnamurthy
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Structure Analysis ◽  
Crystal Structure Analysis ◽  
Intermolecular Hydrogen Bonding ◽  
X Ray ◽  
Envelope Conformation

Abstract An X-ray crystal structure analysis of tetrakis(dimethylamino)(ethylenediamino)cyclotriphosphazene reveals a novel spirocyclic structure with the spiro ring having an envelope conformation. There is evidence for an intermolecular N-H ··· N bond in the crystal which persists in solution

High Pressure Raman Study of the Hydrolysis Reaction of Tmos and Teos

1990 ◽  
Vol 180 ◽  
Author(s):  
G. Hoang ◽  
J. Watson ◽  
T. W. Zerda
Keyword(s):  
Raman Spectroscopy ◽  
Dielectric Constant ◽  
High Pressure ◽  
Hydrogen Bonding ◽  
Raman Band ◽  
Dipole Moments ◽  
Hydrolysis Reaction ◽  
Or Groups ◽  
Bonding Properties ◽  
Raman Study

ABSTRACTHigh pressure Raman spectroscopy is used to monitor the hydrolysis reaction of TMOS in solutions with methanol, acetonitrile, acetone, dioxane and formamide, and of TEOS as a function of pH and the catalyst used. The rate constants for various solvents, temperatures and pressures are experimentally determined from the time dependence of Raman band intensities. It is shown that the reaction is slow in dioxane and fast in methanol or formamide. The volume of activation is found from the pressure dependence of the rate constant. The volume of activation, the dielectric constant, dipole moments and hydrogen bonding properties and their role in the hydrolysis reaction are discussed. It is shown that solvents which can form hydrogen bonding with Si-OR groups can increase the rate of the reaction.

Sign in / Sign up

Export Citation Format

Share Document