Mercury(II) and cadmium(II) halide complexes of tertiary phosphine sulfides and selenides

1980 ◽  
Vol 58 (14) ◽  
pp. 1476-1479 ◽  
Author(s):  
Samuel O. Grim ◽  
Edward D. Walton ◽  
Larry C. Satek
Keyword(s):  
Room Temperature ◽  
Coupling Constants ◽  
Metal Halides ◽  
Tertiary Phosphine ◽  
Nmr Data ◽  
Halide Complexes ◽  
Reduced Temperature

Phosphorus-31 nmr data are reported for tri-n-butylphosphine selenide complexes of mercury(II) and cadmium halides and for some miscellaneous complexes of tertiary phosphine sulfides and selenides with the same metal halides. The ligands in the complexes are labile in solution at room temperature but the exchange can be "frozen out" in certain cases at reduced temperature. Selenium-77–phosphorus-31 coupling constants are less in the complexes than in the free ligands and 1JPSe decreases in each observable case with decreasing temperature. Two bond mercury-199–phosphorus-31 coupling is observed in some of the cooled solutions of the complexes.

Polydentate Ligands Containing Phosphorus, III [1]. Synthesis and Nuclear Magnetic Resonance Studies of Some Unsymmetrical Potentially Tridentate Phosphine Chalcogenide Ligands

1980 ◽  
Vol 35 (7) ◽  
pp. 832-837 ◽  
Author(s):  
Samuel O. Grim ◽  
Larry C. Satek ◽  
J. Dale Mitchell
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Room Temperature ◽  
Electron Pair ◽  
Nmr Spectrum ◽  
Magnetic Resonance Studies ◽  
Polydentate Ligands ◽  
Nmr Data ◽  
Type C ◽  
Related Compounds ◽  
Reduced Temperature

The synthesis via the useful lithium reagent intermediate, (C6H5)2P(S)CH2Li, is reported for eight compounds of the type [(C6H5)2P(X)][R2P(X)]2CH, where R is methyl or phenyl and X is an electron pair, oxygen, or sulfur in various combinations. Two related compounds with three and four phosphorus atoms, respectively, per molecule have also been prepared from the same lithium reagent. Tris(diphenylthiophosphoryl)methane has three equivalent phosphorus atoms as indicated by the room temperature phosphorus-31 NMR spectrum, but at reduced temperature a favored conformation exists which has two equivalent phosphorus atoms and a unique one. Other phosphorus-31 and proton NMR data are reported

Unsymmetrisch substituierte Phosphinoschwefeldiimide – NMR-Untersuchungen über die Konfiguration in Lösung/ Unsymmetrically Substituted Phosphino Sulfur Diimides – NMR Studies on the Configuration in Solution

1988 ◽  
Vol 43 (8) ◽  
pp. 985-992 ◽  
Author(s):  
Max Herberhold ◽  
Stefan M. Frank ◽  
Bernd Wrackmeyer
Keyword(s):  
Nmr Spectroscopy ◽  
Low Temperatures ◽  
Room Temperature ◽  
Coupling Constants ◽  
Nmr Studies ◽  
Tert Butyl ◽  
Nmr Data

AbstractThe phosphino-substituted sulfur diimides S(N-PtBu2)2 (1), tBu;P(NSN)PRR′ (R = R′ - phenyl (2a), cyclohexyl (2b), isopropyl (2c), ethyl (2d); R = phenyl, R′ = tert-butyl (2e)) and tBu2P(NSN)tBu (3) were studied in solution by 1H, 13C and 31P NMR spectroscopy**. The coupling constants 4J(31P31P) of the compounds containing different phosphino groups, 2a-e, depend both on the nature of the solvent and the temperature. The NMR results are interpreted in accord with a rapid Z/E⇄ E/Z interconversion at room temperature and the predominance of a single configurational isomer at low temperatures. There is no indication for the presence of the “symmetrical” configurations, Z/Z or E/E respectively, in solution in appreciable amounts. 15N NMR data are also reported for a series of sulfur diimides.

Pressure dependent ultrasonic properties of hcp hafnium metal

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Ramanshu P. Singh ◽  
Shakti Yadav ◽  
Giridhar Mishra ◽  
Devraj Singh
Keyword(s):  
Elastic Constants ◽  
Pressure Range ◽  
Room Temperature ◽  
Ultrasonic Attenuation ◽  
Coupling Constants ◽  
Ultrasonic Properties ◽  
Acoustic Coupling ◽  
Third Order Elastic Constants ◽  
The Stability ◽  
The Given

Abstract The elastic and ultrasonic properties have been evaluated at room temperature between the pressure 0.6 and 10.4 GPa for hexagonal closed packed (hcp) hafnium (Hf) metal. The Lennard-Jones potential model has been used to compute the second and third order elastic constants for Hf. The elastic constants have been utilized to calculate the mechanical constants such as Young’s modulus, bulk modulus, shear modulus, Poisson’s ratio, and Zener anisotropy factor for finding the stability and durability of hcp hafnium metal within the chosen pressure range. The second order elastic constants were also used to compute the ultrasonic velocities along unique axis at different angles for the given pressure range. Further thermophysical properties such as specific heat per unit volume and energy density have been estimated at different pressures. Additionally, ultrasonic Grüneisen parameters and acoustic coupling constants have been found out at room temperature. Finally, the ultrasonic attenuation due to phonon–phonon interaction and thermoelastic mechanisms has been investigated for the chosen hafnium metal. The obtained results have been discussed in correlation with available findings for similar types of hcp metals.

Studies of metal halides. Magnetic properties of some molybdenum(III) binuclear complex halides

1969 ◽  
Vol 22 (1) ◽  
pp. 121 ◽  
Author(s):  
IE Grey ◽  
PW Smith
Keyword(s):  
Magnetic Properties ◽  
Magnetic Susceptibility ◽  
Binuclear Complex ◽  
Magnetic Behaviour ◽  
Metal Halides ◽  
Metal Interaction ◽  
Metal Metal ◽  
Halide Complexes

The variation of magnetic susceptibility with temperature for a number of binuclear halide complexes of molybdenum of formula A3IMo2X9 (A = Cs, Et4N, Et3NH; X = Cl, Br) has been studied over the range 90-400�K. The magnetic behaviour is consistent with that expected for magnetically isolated exchange-coupled pairs of molybdenum atoms. The coupling is interpreted as occurring mainly by direct metal-metal interaction rather than superexchange.

NMR-spektroskopische Untersuchungen an 1,1-Thiophendioxid und verwandten Verbindungen / NMR Spectroscopical Investigations of Thiophene 1,1-Dioxide and Related Compounds

1984 ◽  
Vol 39 (7) ◽  
pp. 915-920 ◽  
Author(s):  
Herbert Meier ◽  
Thomas Molz ◽  
Heinz Kolshorn
Keyword(s):  
Computer Simulation ◽  
Chemical Shifts ◽  
Coupling Constants ◽  
Multiple Resonance ◽  
Nmr Data ◽  
Cyclic Diene ◽  
Related Compounds ◽  
C Nmr

The 1H and 13C NMR data of thiophene 1,1-dioxide (3) and related compounds, especially of the precursor 2 and the consecutive product 5 are evaluated by computer simulation and multiple resonance. Chemical shifts and coupling constants reveal that 3 has the character of a cyclic diene. Diatropic or paratropic effects can be excluded.

Peri-Interactions in Naphthalenes, 9 [1]. On Hypercoordination in Non-Quaternary Phosphonium Salts and a Secondary Phosphine with the (8-Dimethylamino-Naphth-1-Yl) Substituent

2003 ◽  
Vol 58 (1) ◽  
pp. 59-73 ◽  
Author(s):  
Günter Paulus Schiemenz ◽  
Christian Näther ◽  
Simon Pörksen
Keyword(s):  
Hydrogen Bonds ◽  
Basic Assumption ◽  
Coupling Constants ◽  
Secondary Phosphine ◽  
Phosphonium Salts ◽  
Silicon Compounds ◽  
Nmr Data ◽  
Yield Information ◽  
Quaternary Phosphonium Salts

Abstract The 31P NMR data of non-quaternary (8-dimethylamino-naphth-1-yl)phosphonium salts, with emphasis on the 1J(31P, 1H) coupling constants, where scrutinized for their potential to yield information about N→P dative interactions. As for δ (29Si) and 1J(29Si, 1H) in the isosteric silanes, the data do not permit conclusions in favour of such interactions. 1J(31P, 1H) of bis(8-dimethylaminonaphth- 1-yl)phosphine in conjunction with the distances d(N···P) invalidates the basic assumption on which the claim of dative N→P/Si bonding in such phosphorus and silicon compounds rests, viz. that N···P/Si distances of ca. 270 pm are evidence for P/Si-hypercoordination. No evidence for hydrogen bonds N···H-P was found.

Hexaethyl-2,4-dicarba-nido-hexaborane(8), Deprotonation and Complexation Studied by NMR Spectroscopy and Density Functional Theory (DFT) Calculations

2004 ◽  
Vol 59 (6) ◽  
pp. 685-691 ◽  
Author(s):  
Bernd Wrackmeyer ◽  
Hans-Jörg Schanz
Keyword(s):  
Density Functional Theory ◽  
Nmr Spectroscopy ◽  
Density Functional ◽  
Chemical Shifts ◽  
Coupling Constants ◽  
Analogous Reaction ◽  
Sandwich Complex ◽  
Dft Methods ◽  
Functional Theory ◽  
Nmr Data

Deprotonation of hexaethyl-2,4-dicarba-nido-borane(8) 2 leads first to the hexaethyl-2,4-dicarbanido- borate(1−) 3, and further deprotonation, using BuLi/KOtBu, gives the hexaethyl-2,4-dicarbanido- hexaborate(2−) 4. The reaction of 3 with FeCl2 affords the commo-ferracarborane [Fe(Et6-2,4- C2B4H)2] 5, and the analogous reaction of 4 leads to the anionic sandwich complex [Fe(Et6-2,4- C2B4)2]2− 6 which can be protonated to give 5. The complex 5 contains two hydrido ligands, each bridging the iron and two boron atoms. Reactions were monitored and the products were characterised by 11B NMR spectroscopy in solution. The geometries of the carboranes, the borates (all unsubstituted and permethyl-substituted) and the iron complexes (all unsubstituted) were optimised by DFT methods [B3LYP/6-311+G(d,p) or B3LYP/6-31+G(d)], and the relevant NMR data [chemical shifts δ11B, δ13C, δ57Fe, and coupling constants 1J(13C,1H), 1J(11B,1H), 1J(57Fe,1H), 1J(57Fe,11B)] were calculated at the same level of theory.

14N and 39K Nuclear Quadrupole Coupüng in KNO3

1990 ◽  
Vol 45 (3-4) ◽  
pp. 459-463 ◽  
Author(s):  
T. J. Bastow ◽  
S. N. Stuart
Keyword(s):  
Phase Transition ◽  
Nuclear Magnetic Resonance ◽  
Room Temperature ◽  
Potassium Nitrate ◽  
Nuclear Quadrupole Interaction ◽  
Coupling Constants ◽  
Disorder Phase Transition ◽  
Nuclear Quadrupole ◽  
T Values ◽  
Asymmetry Parameters

Abstract The nuclear quadrupole interaction tensors of 14N and 39K in potassium nitrate at room temperature have been determined from nuclear magnetic resonance (NMR) rotation studies of single crystals at 9.4 T. Values for the coupling constants and asymmetry parameters at 296 K are:14N: e2 qQ/h = 751 kHz, η = 0.022; 39K: e2 qQ/h = 1326kHz, η = 0.171. The temperature dependence, on approaching the order-disorder phase transition near 401 K, is linear.

1,1-Ethylboration Of Di(alkyn-1-yl)Silanes With Two And Three Si-H Functions. New Silacyclopentadienes

2005 ◽  
Vol 60 (3) ◽  
pp. 251-258 ◽  
Author(s):  
Bernd Wrackmeyer ◽  
Oleg L. Tok ◽  
Azim Khan ◽  
Amin Badshah
Keyword(s):  
Coupling Constants ◽  
Solution Nmr ◽  
Dft Methods ◽  
Nmr Data ◽  
Different Types ◽  
Sole Product

The reaction of the di(alkyn-1-yl)silanes Me2Si(C≡CSiMe2H)2 1a and Me(H)Si(C≡CSiMe2H)2 1b with triethylborane was studied. In the case of 1a, the 4-ethyl-3-diethylboryl-1,1-dimethyl-2,5- bis(dimethylsilyl)-1-sila-2,4-cyclop entadiene 2a was the sole product. In the case of 1b, the analogous silole 2b was formed along with two other products which were identified as di(alkenyl)silanes 3b and 4b, in which different types of electron-deficient Si-H-B bridges could be detected. All products were characterised by consistent sets of solution NMR data (1H, 11B, 13C and 29Si NMR). The coupling constants 1J(13C,13C) were measured for 2a and calculated by using DFT methods (B3LYP/6-311+G(d,p) level of theory)

Dynamisches Verhalten dimerer 1,3,2,4λ2-Diazasilastannetidine und -plumbetidine in Lösung — eine Multikern-NMR-Studie/Dynamic Behaviour of Dimeric 1,2,3,4λ2-Diazasilastannetidines and -plumbetidines in Solution — a Multinuclear NMR Study

1989 ◽  
Vol 44 (3) ◽  
pp. 288-292 ◽  
Author(s):  
Bernd Wrackmeyer ◽  
Klaus Horchler ◽  
Hong Zhou ◽  
Michael Veith
Keyword(s):  
Low Temperature ◽  
Dynamic Process ◽  
Room Temperature ◽  
Dynamic Behaviour ◽  
The Other ◽  
Multinuclear Nmr ◽  
Nmr Data ◽  
Nmr Study ◽  
Intramolecular Process

1,3-Diisopropyl-2,2-dimethyl-1,3,2,4λ2-diazasilastannetidine (1b) and -plumbetidine (2b) are dimeric [(1b)2, (2b)2] in solution. At room temperature the structure of (1b)2 is fluxional. The dynamic behaviour is interpreted - on the basis of 1H. 13C, 29Si and 119Sn NMR data - as an intramolecular process in which the four-membered rings keep their identity. Such a process involves either concerted opening of the two coordinative Sn - N bonds and mutual slippage of the two rings, or consecutive cleavage of one of the coordinative Sn - N bonds and rotation about the other one. At room temperature the dimer (2b)2 is in equilibrium with its monomer 2b, whereas at low temperature the dynamic process corresponds to that established for (1b)2. In solutions which contain a mixture of the dimers (1b)2 and (2b)2, the presence of the mixed dimer 1b/2b can be proved unambiguously by consistent 29Si, 119Sn and 207Pb NMR data.

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