Surface bond angle and bond lengths of rearranged As and Ga atoms on GaAs(110)

1978 ◽  
Vol 17 (8) ◽  
pp. 3303-3309 ◽  
Author(s):  
S. Y. Tong ◽  
A. R. Lubinsky ◽  
B. J. Mrstik ◽  
M. A. Van Hove
Keyword(s):  
Bond Angle ◽  
Bond Lengths ◽  
Surface Bond

Synthesen und Kristallstrukturen von [PPh3Me]NO2 und [PPh3 Me]HCO2H2O / Syntheses and Crystal Structures of [PPh3Me]NO2 and [PPh3Me]HCO2H2O

1988 ◽  
Vol 43 (10) ◽  
pp. 1279-1284 ◽  
Author(s):  
Mervat El Essawi ◽  
H Gosmann ◽  
D Fenske ◽  
F Schmock ◽  
K Dehnicke
Keyword(s):  
Crystal Structure ◽  
Aqueous Solutions ◽  
Ir Spectra ◽  
Bond Angle ◽  
Water Molecules ◽  
Moist Air ◽  
Space Group ◽  
X Ray ◽  
Bond Lengths ◽  
Structure Determinations

Triphenylmethylphosphonium nitrite and formate have been prepared by the reaction of [PPh3Me]I with silver nitrite, and lead formate, respectively, in aqueous solutions. [PPh3Me]NO2 (1) forms pale yellow crystals, and [PPh3Me]HCO2·H2O (2) forms white crystals. Both compounds are soluble in water, ethanol, and dichloromethane. In moist air 2 is hydrated to yield [PPh3Me]HCO2·2H2O (3). The compounds were characterized by their IR spectra, 1 and 2 also by X-ray crystal structure determinations.[PPh3Me]NO2 (1): space group P21/n, Z = 4, 2088 independent observed reflexions, R = 0.062. Lattice dimensions (20 °C): a = 914.7(3), b = 1887.5(9), c = 1080.0(4) pm, β = 110.29(3)°. The compound consists of PPh3Me+ ions and NO2- anions with bond lengths of 114.2(6) pm and a bond angle of 124.1(7)°. [PPh3Me]HCO2·H2O (2): space group P21/n, Z = 4, 2973 independent observed reflexions, R = 0.069. Lattice dimensions (-20 °C): a = 931(2), b = 1558(3), c = 1281(2) pm, β = 105.9(1)°. The compound consists of PPh3Me+ ions and formate anions which form centrosymmetric dimeric units [HCO2·H2O]22- through hydrogen bridges of the water molecules. Bond lengths CO 122.4(4) and 120.9(4) pm. bond angle OCO 129.9(4)°.

Further analysis of surface bond lengths measured for chemisorption on metal surfaces

1986 ◽  
Vol 64 (7) ◽  
pp. 1385-1389 ◽  
Author(s):  
K. A. R. Mitchell ◽  
S. A. Schlatter ◽  
R. N. S. Sodhi
Keyword(s):  
Structural Data ◽  
Bond Lengths ◽  
Alternative Approach ◽  
Length Data ◽  
Surface Metal ◽  
Solid Compounds ◽  
General Reliability ◽  
Predictive Approaches ◽  
Model Structures ◽  
Surface Bond

This paper compares bond lengths deduced from the methods of surface crystallography with predictions from the Pauling–Schomaker–Stevenson approach and from a new alternative approach suggested by recent work of Brown and Altermatt. Examples considered are specifically for X—M surface bond lengths where atoms X from groups 16 or 17 are adsorbed on well-defined surfaces of a metal M. The alternative approach introduced here is parametrised with reference to structural data from solid compounds of formula MX. The two predictive approaches considered, when used together, appear to be quite adequate for guiding choices of trial model structures to be included in surface crystallographic analyses with low-energy electron diffraction (LEED); also they seem reasonable for checking the general reliability (or otherwise) of surface bond length data. Two further features introduced by this work are (i) evidence that the Cl—Ag distance reported by LEED for Cl adsorbed on the Ag(100) surface is broadly consistent with the structure of solid AgCl; (ii) evidence for S adsorbed on the Fe(110) surface that these analyses can guide investigations of lateral relaxations of surface metal atoms. As more reliable structural data become available, extensions of these analyses should help to identify the finer details in X—M bond lengths which result from the special coordination arrangements occurring at surfaces.

Chemical trends of Mn4+ emission in solids

2014 ◽  
Vol 2 (14) ◽  
pp. 2475-2481 ◽  
Author(s):  
M. H. Du
Keyword(s):  
Bond Length ◽  
Bond Angle ◽  
Bond Lengths ◽  
Experimental Values ◽  
Chemical Trends

Calculated Mn4+ emission energies for various oxides as functions of Mn–O bond length. The experimental values are shown (in red) wherever available. There are three groups of materials: the ones with small O–Mn–O bond angle distortion (black squares), the ones with large O–Mn–O bond angle distortion (blue circles), and phosphates (green triangles). Weak Mn4+-ligand hybridization as a result of long Mn–O bond lengths and/or large O–Mn–O bond angle distortion generally leads to higher emission energies.

Preparation and Crystal Structure of Hexapotassium-μ-Oxo-Hexathiodititanate(IV), K6Ti2OS6

2003 ◽  
Vol 58 (1) ◽  
pp. 163-167 ◽  
Author(s):  
Kurt O. Klepp ◽  
Ferdinand Fabian
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Title Compound ◽  
Bond Angle ◽  
Tetrahedral Configuration ◽  
Bond Lengths ◽  
Pale Yellow ◽  
Intimate Mixture ◽  
The Mean ◽  
Complex Anions

Abstract Pale yellow crystals of the title compound were obtained by reacting an intimate mixture of K2S, K2S2O4, Ti and S at 650 °C. K6Ti2OS6 is monoclinic, mP60, s. g. P21/c. It is characterized by the formation of bitetrahedral complex anions, [S3TiOTiS3]6−, which adopt a staggered conformation. The mean Ti-S and Ti-O bond lengths are 2.242(1) and 1.836(2) Å , respectively, the Ti-O-Ti bond angle is 153.8(2)°. Two K+ ions complete the coordination of the bridging oxygen atom by the cations to a heavily distorted tetrahedral configuration. The anions are arranged in corrugated slabs running parallel to (100). The packing and crystallographic relationship to K6Co2O7 are discussed.

scholarly journals Bis(flavonolato-κ2O,O′)dioxidoosmium(VI) dichloromethane disolvate

IUCrData ◽  
2017 ◽  
Vol 2 (9) ◽  
Author(s):  
Will Lynch ◽  
Clifford Padgett
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Metal Cation ◽  
Bond Angle ◽  
Central Metal ◽  
Bond Angles ◽  
Bond Lengths ◽  
Solvent Molecules

In the crystal structure of the title solvatedtrans-dioxidoosmium(VI) flavonolate (flav) complex, [Os(C15H9O3)2O2]·2CH2Cl2or [Os(flav)2O2]·2CH2Cl2, the two dichloromethane solvent molecules have nonclassical hydrogen-bonding contacts at or greater than 3.18 Å. The pseudo-octahedrally coordinated central metal cation is observed with all donor atoms being oxygen. The Os=O bond lengths are 1.721 (5) and 1.728 (5) Å, with a 170.4 (2)° bond angle. The O—Os bond lengths arising from the flanvonolate ligand are observed to all be slightly over 2.0 Å. The chelate bond angles arising from the flavonolate O atoms with the osmium cation are constrained by the ligand at 80.72 (18) and 80.92 (17)°.

O-Benzoyl side-chain conformations in 2,3,4,6-tetra-O-benzoyl-β-D-galactopyranosyl-(1→4)-1,2,6-tri-O-benzoyl-β-D-glucopyranose (ethyl acetate solvate) and 1,2,4,6-tetra-O-benzoyl-β-D-glucopyranose (acetone solvate)

2019 ◽  
Vol 75 (2) ◽  
pp. 161-167 ◽  
Author(s):  
Toby Turney ◽  
Qingfeng Pan ◽  
Wenhui Zhang ◽  
Allen G. Oliver ◽  
Anthony S. Serianni
Keyword(s):  
Ethyl Acetate ◽  
Bond Angle ◽  
Solution Nmr ◽  
Side Chain ◽  
Nmr Studies ◽  
Torsion Angles ◽  
Bond Lengths ◽  
Side Chain Conformation ◽  
Chain Conformations ◽  
Good Agreement

The crystal structures of 2,3,4,6-tetra-O-benzoyl-β-D-galactopyranosyl-(1→4)-1,2,6-tri-O-benzoyl-β-D-glucopyranose ethyl acetate hemisolvate, C61H50O18·0.5C4H8O2, and 1,2,4,6-tetra-O-benzoyl-β-D-glucopyranose acetone monosolvate, C34H28O10·C3H6O, were determined and compared to those of methyl β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside (methyl β-lactoside) and methyl β-D-glucopyranoside hemihydrate, C7H14O6·0.5H2O, to evaluate the effects of O-benzoylation on bond lengths, bond angles and torsion angles. In general, O-benzoylation exerts little effect on exo- and endocyclic C—C and endocyclic C—O bond lengths, but exocyclic C—O bonds involved in O-benzoylation are lengthened by 0.02–0.04 Å depending on the site of substitution. The conformation of the O-benzoyl side-chains is highly conserved, with the carbonyl O atom either eclipsing the H atom attached to a 2°-alcoholic C atom or bisecting the H—C—H bond angle of an 1°-alcoholic C atom. Of the three bonds that determine the side-chain geometry, the C—O bond involving the alcoholic C atom exhibits greater rotational variability than the remaining C—O and C—C bonds involving the carbonyl C atom. These findings are in good agreement with recent solution NMR studies of the O-acetyl side-chain conformation in saccharides.

A Metal Nitride Carbodiimide with a Stuffed Skutterudite-type Structure: Synthesis, Crystal Structure and IR Spectra of (Ba6N5/6)2[NbN4][CN2]6

2007 ◽  
Vol 62 (10) ◽  
pp. 1246-1250 ◽  
Author(s):  
Olaf Reckeweg ◽  
Mehmet Somer ◽  
Francis J. DiSalvo
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Single Crystals ◽  
Ir Spectrum ◽  
Title Compound ◽  
Bond Angle ◽  
Type Structure ◽  
Bond Lengths ◽  
Structure Synthesis ◽  
Bending Modes

Coppery-red, transparent single crystals of (Ba6N5/6)2[NbN4][CN2]6 (Im¯3, no. 204, a =1125.83(3) pm, Z = 2) are obtained by the reaction of Ba2N and ZnCN2 with the container walls of the arc-welded Nb ampoules at 1100 K. The title compound assumes a stuffed skutterudite-type structure in which edge-sharing (Ba6N5/6) octahedra form large voids which are occupied by either [NbN4] tetrahedra or by [N=C=N]2− units with symmetric C=N bond lengths of d = 121.8(6) pm but a bond angle deviating significantly from linearity (∡ (N-C-N) = 175.3(9)°). The IR spectra corroborate this crystallographic result by the fact that all fundamental vibrations are visible in the IR spectrum [ν1 = 1262 (symmetric stretching mode); ν2 = 1957/2009 (antisymmetric stretching mode); ν3 = 611/633/653 cm−1 (bending modes)], which is symmetry forbidden for [N=C=N]2− units having D∞h symmetry but expected for the C2v symmetry found in the title compound.

scholarly journals Crystal structure of [1-(2,6-diisopropylphenyl)-2,4-bis(dimethylamino)-5-trimethylsilyl-1,3,5-triazapentadienyl-κ2N1,N5](triphenylphosphane-κP)copper(I)

2015 ◽  
Vol 71 (3) ◽  
pp. m54-m54 ◽  
Author(s):  
Feiguang Li ◽  
Lei Yan ◽  
Hongbo Tong ◽  
Meisu Zhou
Keyword(s):  
Crystal Structure ◽  
Coordination Sphere ◽  
Bond Angle ◽  
Title Complex ◽  
One Pot ◽  
Bond Lengths ◽  
The One

The title complex, [Cu(C21H38N5Si)(C18H15P)], was obtained from the one-pot reaction between (Dipp)N(Li)SiMe3(Dipp = 2,6-diisopropylphenyl), Me2NCN, CuCl and PPh3. The CuIatom has a distorted trigonal–planar coordination sphere. The triazapentadienyl ligand acts as a κ2-donor. The N—Cu—N bond angle is 95.88 (14)°. In the triazapentadienyl fragment, the C—N bond lengths are in the range 1.328 (5)–1.349 (5) Å, which indicates delocalization of the π-electrons in the NCNCN system.

Kupfer(I)-chlorid-Addukte von Phosphoraniminen Die Kristallstrukturen von Ph 3 PNPh * CuCl und von 2,3-Bis(triphenylphosphoranylidenamino)maIeinsäure-N-methylimid- Kupfer(I)-chlorid / Copper(I) Chloride Adducts of Phosphoranimines The Crystal Structures of Ph3 PNPh·CuCl and of 2,3-Bis(triphenylphosphoranylideneamino)maleic Acid N-Methylimide Copper(I) Chloride

1988 ◽  
Vol 43 (1) ◽  
pp. 5-11 ◽  
Author(s):  
Andrea Maurer ◽  
Dieter Fenske ◽  
Johannes Beck ◽  
Joachim Strähle ◽  
Eberhard Böhm ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Ir Spectra ◽  
Crystal Structures ◽  
Maleic Acid ◽  
Bond Angle ◽  
Asymmetric Unit ◽  
Space Group ◽  
Bond Lengths ◽  
Structure Determinations ◽  
Independent Molecules

Abstract The title compounds Ph3PNPh · CuCl (1) and (Ph3P)2 N2 C4O2 (NMe) CuCl (2) have been prepared by the reactions of CuCl with the corresponding phosphoranimines Ph3PNPh and 2.3-bis(triphenylphosphoranylideneamino)maleic acid N-methylimide, respectively. Both com-plexes were characterized by their IR spectra as well as by crystal structure determinations. Ph3PNPh · CuCl (1): space group P1, Z = 4, 3639 independent observed reflexions, R = 0.038. Lattice dimensions (18 °C): a = 1047.6; b = 1251.5; c = 1755 pm; α = 103.43°; β = 97.24°; γ = 101.30°. The compound forms monomeric molecules; the asymmetric unit contains two crystallo-graphically independent molecules. The CuCl molecule is bonded via the N atom of the phos-phoranimine. Bond lengths: Cu-N = 189 pm; Cu-CI = 209 pm; bond angle N - Cu - CI = 177°. (Ph3P)2N2C4O2(NMe) · CuCl (2): space group Pbca, Z = 8, 5611 independent, observed reflexions, R = 0.069. Lattice dimensions (25 °C): a = 1224.3; b = 1962.5: c = 2994.0 pm. The compound forms monomeric molecules with the CuCl molecule bonded via one of the N atoms of the phosphoranimine groups. Bond lengths: Cu - N = 194 pm; Cu-CI = 212 pm; bond angle N-Cu -CI -175°.

scholarly journals Crystal structure ofcatena-poly[silver(I)-μ-L-tyrosinato-κ2O:N]

2015 ◽  
Vol 71 (3) ◽  
pp. m50-m51
Author(s):  
Aqsa Yousaf ◽  
Muhammad Nawaz Tahir ◽  
Abdul Rauf ◽  
Shafique Ahmad Awan ◽  
Saeed Ahmad
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Double Layer ◽  
Title Compound ◽  
Bond Angle ◽  
Symmetry Code ◽  
Linear Arrangement ◽  
Bond Lengths ◽  
Polymeric Network ◽  
Polymeric Chains

The title compound, [Ag(C9H10NO3)]n, is a polymeric silver(I) complex of L-tyrosine. The AgIatom is connected to N and O atoms of two different L-tyrosine ligands in an almost linear arrangement, with an Ni—Ag—O1 bond angle of 173.4 (2)° [symmetry code: (i)x + 1,y,z]. The Ag—Niand Ag—O bond lengths are 2.156 (5) and 2.162 (4) Å, respectively. The polymeric chains extend along the crystallographicaaxis. Strong hydrogen bonds of the N—H...O and O—H...O types and additional C—H...O interactions connect these chains into a double-layer polymeric network in theabplane.

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