Journal of The Chemical Society A: Inorganic, Physical, Theoretical最新文献

The interpretation of carbon nuclear magnetic resonance shifts 碳核磁共振的解释发生了变化

Journal of The Chemical Society A: Inorganic, Physical, Theoretical Pub Date : 1977-02-22 DOI: 10.1039/J19710001038

J. Mason

{"title":"The interpretation of carbon nuclear magnetic resonance shifts","authors":"J. Mason","doi":"10.1039/J19710001038","DOIUrl":"https://doi.org/10.1039/J19710001038","url":null,"abstract":"13 \u0000 C Chemical shifts, when corrected for the diamagnetic term, become additive for polysubstitution by halogen, or methyl, methoxy-, or phenyl groups; and the branched alkanes, and fused (or linked) arenes, follow the simple rules. The corrected shifts for acyclic (including branched) alkanes and simple cycloalkanes (except cyclopropane) are given by five parameters which are increments for each α-, β-, γ-, and δ-carbon substituent, and a small constant term to include methane. The methylcyclohexane parameters vary with conformation.The increase in corrected (paramagnetic) shift with substitution is related to the molecular orbital theory. The shift increases as QAB, the double bond term, increases.The corrected shift has a periodic relationship with the atomic number of the ligand X in MenX. The corrected shift increases across the period of the ligand X (as its electronegativity increases), but also increases down the group of the ligand (as its electronegativity decreases), except for a small decrease from the first row to the second for the more electronegative ligands.While increments in corrected shift are additive for saturated ligands, conjugative interaction with multiply bonded substituents reduces the resultant paramagnetic shift.","PeriodicalId":17321,"journal":{"name":"Journal of The Chemical Society A: Inorganic, Physical, Theoretical","volume":"9 1","pages":"1038-1047"},"PeriodicalIF":0.0,"publicationDate":"1977-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89384191","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 45

Symmetry rules for the differential Raman scattering of circularly polarized light by optically active molecules 光活性分子对圆偏振光微分拉曼散射的对称规则

Journal of The Chemical Society A: Inorganic, Physical, Theoretical Pub Date : 1971-01-01 DOI: 10.1039/J19710002899

L. Barron

引用次数: 338

Variable co-ordination of iron(III) complexes in co-ordinating solvents 配位溶剂中铁(III)配合物的可变配位

Journal of The Chemical Society A: Inorganic, Physical, Theoretical Pub Date : 1971-01-01 DOI: 10.1039/J19710003433

K. Garbett, G. Lang, R. J. Williams

引用次数: 10

Exchange reaction between cyclopentane and deuterium on evaporated nickel–copper alloy films 环戊烷与氘在蒸发镍铜合金薄膜上的交换反应

Journal of The Chemical Society A: Inorganic, Physical, Theoretical Pub Date : 1971-01-01 DOI: 10.1039/J19710002012

E. Mcmahon, P. F. Carr, J. Clarke

引用次数: 6

Ligand-field splitting in eight-co-ordinate complexes of dodecahedral structure 十二面体结构八配位配合物的配体场分裂

Journal of The Chemical Society A: Inorganic, Physical, Theoretical Pub Date : 1971-01-01 DOI: 10.1039/J19710003309

M. Randic, M. Vučelić

引用次数: 2

Arylamine co-ordination complexes. Part IV. Complexes of nickel(II) thiocyanate with substituted anilines 芳胺配合物。第四部分:硫氰酸镍与取代苯胺的配合物

Journal of The Chemical Society A: Inorganic, Physical, Theoretical Pub Date : 1971-01-01 DOI: 10.1039/J19710001640

A. Butcher, D. J. Phillips, J. Redfern

引用次数: 11

Crystal and molecular structure of primary nickel dithizonate 二硫代酸镍的晶体和分子结构

Journal of The Chemical Society A: Inorganic, Physical, Theoretical Pub Date : 1971-01-01 DOI: 10.1039/J19710001247

M. Laing, P. Sommerville, P. Alsop

引用次数: 18

Preparation and some properties of lead thiolates 硫代酸铅的制备及其性能

Journal of The Chemical Society A: Inorganic, Physical, Theoretical Pub Date : 1971-01-01 DOI: 10.1039/J19710001569

R. Shaw, M. Woods

引用次数: 26

Metal–carbonyl and metal–nitrosyl complexes. Part XI. Crystal and molecular structures of π-cyclopentadienyl-trans-dicarbonyliodo(triphenylphosphine)molybdenum and π-cyclopentadienyl-cis-carbonyl-chloro-[1,2-bis(diphenylphosphino)ethane]molybdenum 金属-羰基和金属-亚硝基配合物。π-环戊二烯基-反式二羰基(三苯基膦)钼和π-环戊二烯基-顺式羰基-氯-[1,2-双(二苯基膦)乙烷]钼的晶体和分子结构

Journal of The Chemical Society A: Inorganic, Physical, Theoretical Pub Date : 1971-01-01 DOI: 10.1039/J19710001003

M. Bush, A. Hardy, Lj. Manojlović-Muir, G. A. Sim

{"title":"Metal–carbonyl and metal–nitrosyl complexes. Part XI. Crystal and molecular structures of π-cyclopentadienyl-trans-dicarbonyliodo(triphenylphosphine)molybdenum and π-cyclopentadienyl-cis-carbonyl-chloro-[1,2-bis(diphenylphosphino)ethane]molybdenum","authors":"M. Bush, A. Hardy, Lj. Manojlović-Muir, G. A. Sim","doi":"10.1039/J19710001003","DOIUrl":"https://doi.org/10.1039/J19710001003","url":null,"abstract":"The molecular geometries of π-cyclopentadienyl-trans-dicarbonyliodo(triphenylphosphine)molybdenum, (π-C5H5)-Mo(CO)2(PPh3)I, (I), and π-cyclopentadienyl-cis-carbonylchloro[1,2-bis(diphenylphosphino)ethane]molybdenum,(π-C5H5)Mo(CO)(PPh2CH2CH2PPh2)Cl, (II), have been determined by X-ray crystal-structure analysis. The compound (I) crystallizes in the triclinic space group P, with a= 9·475 ± 0·007, b= 10·667 ± 0·008, c= 12·370 ± 0·009 A, α= 90° 52′± 4′, β= 93° 57′± 3′, γ= 113° 2′± 3′, and Z= 2. The compound (II) crystallizes in the orthorhombic space group Pbca, with a= 17·421 ± 0·009, b= 23·764 ± 0·014, c= 13·783 ± 0·010 A, and Z= 8. The three-dimensional X-ray intensity data were collected on an automatic four-circle diffractometer with Mo-Kα radiation, and the atomic co-ordinates were deduced by Fourier and least-squares methods. The final values of the discrepancy index R are 7·5% over 3425 independent reflections for (I) and 6·7% over 1706 independent reflections for (II). Each molybdenum atom, formally seven-co-ordinate, is in a distorted square pyramid defined by the π-cyclopentadienyl ring at the apex and the other ligands at the corners of the base. The Mo–C(carbonyl) bond lengths are 1·984 ± 0·015 and 1·982 ± 0·018 A in (I) and 1·938 ± 0·018 A in (II), and the Mo–P bond lengths are 2·481 ± 0·005 A in (I) and 2·496 ± 0·004 and 2·439 ± 0·005 A in (II). The Mo–I and Mo–Cl distances are 2·858 ± 0·003 and 2·541 ± 0·005 A, and the difference between these (0·32 A) is close to the difference of 0·34 A between the covalent radii of chlorine and iodine atoms. The Mo–C-(cyclopentadienyl) separations in (I) range from 2·297 to 2·367, mean 2·333 A, while those in (II) range from 2·233 to 2·381, mean 2·310 A.","PeriodicalId":17321,"journal":{"name":"Journal of The Chemical Society A: Inorganic, Physical, Theoretical","volume":"59 1","pages":"1003-1009"},"PeriodicalIF":0.0,"publicationDate":"1971-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74109859","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 19

Borazines. Part V. The mass spectra of some 1,3,5-trialkylborazines 硼吖嗪。第五部分:一些1,3,5-三烷基硼嗪类化合物的质谱

Journal of The Chemical Society A: Inorganic, Physical, Theoretical Pub Date : 1971-01-01 DOI: 10.1039/J19710002951

P. Powell, P. Sherwood, M. Stephens, E. Brittain

引用次数: 4