Darstellung, Eigenschaften und Schwingungsspektren von MoVO2(O2PCl2) · POCl3 und MoO2Cl2 · POCl3 / Preparations, Chemical Properties and the Vibrational Spectra of MoVO2(O2PCl2) · POCl3 und MoO2Cl2 · POCl3

1973 ◽  
Vol 28 (3-4) ◽  
pp. 148-152 ◽  
Author(s):  
K. Dehnicke ◽  
A.-F. Shihada
Keyword(s):  
Raman Spectra ◽  
Vibrational Spectra ◽  
Magnetic Measurements ◽  
Chemical Properties ◽  
Ir And Raman Spectra ◽  
Ir And Raman

Polymeric MoO2 (O2PCl2) · POCl3 1 is obtained by the reaction of MoCl5 and P2O3Cl4, while MoO2Cl2 · POCl3 2 is formed by passage of Cl2O into a solution of MoCl5 in POCl3. From magnetic measurements and IR data it appears that 1 contains no Mo-O-Mo system but Mo-O-P-O-Mo bridges. The IR and RAMAN spectra of 2 were assigned by comparison with the spectrum of MoO2Cl2 · H2O.

Chemical adsorption of salicylate on silver - A systematic approach to the interpretation of surface-enhanced vibrational spectra

2004 ◽  
Vol 82 (6) ◽  
pp. 987-997 ◽  
Author(s):  
P J.G Goulet ◽  
R F Aroca
Keyword(s):  
Salicylic Acid ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Density Functional ◽  
Ir And Raman Spectra ◽  
Chemical Adsorption ◽  
Surface Enhanced ◽  
Surface Enhanced Raman ◽  
Enhanced Raman Scattering ◽  
Ir And Raman

In this work, surface-enhanced vibrational spectroscopy and normal vibrational spectroscopy as well as density functional theory (DFT) computational methods have been employed to investigate the nature of the chemical adsorption and orientation of the surface species generated from salicylic acid at silver surfaces. The structure of salicylic acid and its IR and Raman spectra are determined at the B3LYP/6-311+G(d,p) level of theory. These results are used in the assignment of the vibrational spectra. Surface-enhanced Raman scattering (SERS) spectra obtained from silver island films thinly coated with salicylic acid confirm chemical adsorption on the Ag nanostructures. To probe the nature of this surface complex, the optimized geometries and IR and Raman spectra of two model salicylate-silver complexes (Ag1 and Ag2) were calculated at the B3LYP/Lanl2DZ level of theory. It was found that good agreement exists between experimentally observed SERS spectra and the simulated SERS spectra of a complex with the salicylate monoanion bound to a Ag+ ion through its carboxylate group (Ag1). The carboxylate silver salt of salicylic acid (essentially the Ag1 complex) was also prepared, and its IR and Raman spectra were recorded for comparison with the surface-enhanced vibrational spectra. These results, along with the application of surface selection rules, suggest that salicylic acid is deprotonated at silver surfaces, interacting through its carboxylate group alone, and is preferentially in a tilted head-on orientation.Key words: chemisorption, salicylic acid, silver, density functional theory, surface-enhanced Raman scattering, reflection-absorption IR spectroscopy, surface-enhanced IR absorption.

Perfluormethyl-Element-Liganden, XI Die Schwingungsspektren von (CF3)2EMn(CO)5 (E=P, As) / Perfluoromethyl Element Ligands, XI. Vibrational Spectra of (CF3)2EMn(CO)5 (E = P, As)

1975 ◽  
Vol 30 (7-8) ◽  
pp. 539-543 ◽  
Author(s):  
Reinhard Demuth ◽  
Joseph Grobe ◽  
Robert Rau
Keyword(s):  
Liquid Phase ◽  
Force Field ◽  
Gas Phase ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Normal Coordinate Analysis ◽  
Ir And Raman Spectra ◽  
Normal Coordinate ◽  
Ir And Raman

The gas phase IR and liquid phase IR and Raman spectra of (CF3)2PMn(CO)5 and (CF3)2AsMn(CO)6 have been recorded. The spectra are assigned on the basis of a normal coordinate analysis using a transferred force field.

Die Schwingungsspektren der Silylanionen (SiH3)nSiH⊖3-n und (SiD3)nSiD⊖3-n / Vibrational Spectra of the Silyl Anions (SiH3)nSiH⊖3-n and (SiD3)nSiD⊖3-n

1974 ◽  
Vol 29 (9-10) ◽  
pp. 647-653 ◽  
Author(s):  
Hans Bürger ◽  
Reint Eujen
Keyword(s):  
Raman Spectra ◽  
Vibrational Spectra ◽  
Negative Charge ◽  
Lone Pair ◽  
Normal Coordinate Analysis ◽  
Ir And Raman Spectra ◽  
Normal Coordinate ◽  
Normal Vibrations ◽  
Stretching Vibrations ◽  
Ir And Raman

The IR and Raman spectra of SiH3⊖, SiH3SiH2⊖, (SiH3)2SiH⊖, (SiH3)3Si⊖ and their deuterated derivatives have been recorded in HMPT and HMPT-d18 solutions. Most normal vibrations have been identified. The SiH and SiSi stretching vibrations are considerably lower than for analogous silanes and silylphosphines, ∼ 2050 and 1850-1900 cm-1 being characteristic for SiH3 and SiH⊖n groups respectively. The assignments are proved by a normal coordinate analysis, and force constants have been calculated. The negative charge is mainly localized on the trivalent Si atom and the lone pair acts repulsively rather than strengthening the SiSi bond through (p→d)π effects.

scholarly journals Structural Data and Vibrational Spectra of the Copper(II) Complex of L-Selenomethionine

2005 ◽  
Vol 60 (6) ◽  
pp. 663-666 ◽  
Author(s):  
Enrique J. Baran
Keyword(s):  
Amino Acid ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Structural Data ◽  
Crystallographic Data ◽  
Ir And Raman Spectra ◽  
X Ray ◽  
Structural Analogy ◽  
Ir And Raman ◽  
Related Complex

A Cu(II) complex of the amino acid L-selenomethionine of stoichiometry Cu(L-SeMet)2, has been prepared and characterized. Crystallographic data were obtained by means of X-ray powder diffractometry and showed that the compound is isostructural with the related complex of L-methionine, Cu(L-Met)2. The structural analogy is also supported by the analysis of the IR and Raman spectra of the complex, which are briefly discussed in comparison with those of free L-selenomethionine.

Studies of silyl and germyl group VI species. Part VI. Synthesis and vibrational spectra of methylthiosilanes

1981 ◽  
Vol 59 (19) ◽  
pp. 2909-2920 ◽  
Author(s):  
John E. Drake ◽  
Boris M. Glavinčevski ◽  
Layla N. Khasrou
Keyword(s):  
Force Field ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Ir And Raman Spectra ◽  
Normal Coordinate ◽  
Group Vi ◽  
Valence Force ◽  
Valence Force Field ◽  
Ir And Raman

Methylthiosilanes of the type (CH3)nH3−nSiSCH3, n = 0–3, and (CH3)HSi(SCH3)2 have been prepared. Their ir and Raman spectra were recorded and assigned. The assignments were supported by normal coordinate analyses based on a modified valence force field.

Synthesis, Vibrational Spectra, Mass Spectrum and Crystal Structure of Tri-n-butyltin Diphenylphosphinate (n-Bu)3SnO2PPh2

1995 ◽  
Vol 50 (9) ◽  
pp. 1343-1347 ◽  
Author(s):  
Abdel-Fattah Shihada ◽  
Frank Weller
Keyword(s):  
Crystal Structure ◽  
Mass Spectrum ◽  
Diffraction Study ◽  
Raman Spectra ◽  
Vibrational Spectra ◽  
Ir And Raman Spectra ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Ir And Raman

AbstractTri-n-butyltin diphenylphosphinate (n-Bu)3SnO2PPh2 has been synthesized by the reaction of (n-Bu3Sn)2O with Ph2POCl in toluene. An X-ray diffraction study of (n-Bu3)SnO2PPh2 shows that the structure is polymeric and consists of helical chains in which (n-Bu)3Sn groups are linked by O-P-O bridges. The geometry about tin is trigonal bipyramidal, with n-butyl groups in equatorial positions and an axial O-Sn-O angle of 176.2 (2)°. IR and Raman spectra of (n-Bu)3SnO2PPh2 are given and assigned. The mass spectrum is reported and discussed.

Schwingunsspektren von Tetrafulminato-Komplexen von Pt(II), Pd(II), Ni(II), Zn(II), Cd(II) und Hg(II) / Vibrational Spectra of Tetrafulminate Complexes of Pt(II), Pd(II), Ni(II), Zn(II), Cd(II), and Hg(II)

1973 ◽  
Vol 28 (5-6) ◽  
pp. 229-233 ◽  
Author(s):  
Wolfgang Beck ◽  
Claus-Jürgen Oetker ◽  
Peter Swoboda
Keyword(s):  
Raman Spectra ◽  
Vibrational Spectra ◽  
Ir And Raman Spectra ◽  
High Symmetry ◽  
Ir And Raman

The IR and Raman spectra of the anionic fulminate complexes [M (CNO) 4] 2- (M =. Ni, Pd, Pt; Zn, Cd, Hg), including also by 11N substituted fulminate ligands, are reported. The results are consistent with high symmetry of these anions (D4h : M=Ni Pd, Pt; Td: M=Zn, Cd, Hg), i. e. with linear metal-C≡N- O groups.

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