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1.
Eschweiler-Clarke methylations of both acyclic and cyclic polyamines can lead to methylation products of fragments of the original polyamine; thus 1,5,9,13-tetra-azatridecane yields 1,1,3,3-tetramethylpropanediamine exclusively and 1,5,9-triazacyclododecane gives 45% 1,5,9-trimethyl-1,5,9-triazacyclodecane and 45% 2,6,10-trimethyl-2,6,10-triazaundecane. 相似文献
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Ludwik Adamowicz Rodney J. Bartlett Józef S. Kwiatkowski Willis B. Person 《Theoretical chemistry accounts》1988,73(2-3):135-145
The diatomic systems, PO and PO– are studied, using numerical Hartree-Fock (NHF) and coupled-cluster calculations. The latter employs a hybrid NHF and Slater orbital basis set. Highly accurate CCSD methods predict bond lengths accurate to <0.004 Å and frequencies to 60 cm–1. In addition the electron affinity of PO is computed to be 0.89 eV compared to an experimental value of 1.09±0.01. Comparisons are made with SCF and MBPT(2) results for PO+ using conventional basis sets.Dedicated to Professor J. Koutecký on the occasion of his 65th birthdayGuggenheim Fellow 相似文献
6.
Briggs TF Winemiller MD Collum DB Parsons RL Davulcu AH Harris GD Fortunak JM Confalone PN 《Journal of the American Chemical Society》2004,126(17):5427-5435
The 1,2-addition of lithium phenylacetylide (PhCCLi) to quinazolinones was investigated using a combination of structural and rate studies. (6)Li, (13)C, and (19)F NMR spectroscopies show that deprotonation of quinazolinones and phenylacetylene in THF/pentane solutions with lithium hexamethyldisilazide affords a mixture of lithium quinazolinide/PhCCLi mixed dimer and mixed tetramer along with PhCCLi dimer. Although the mixed tetramer dominates at high mixed aggregate concentrations and low temperatures used for the structural studies, the mixed dimer is the dominant form at the low total mixed aggregate concentrations, high THF concentrations, and ambient temperatures used to investigate the 1,2-addition. Monitoring the reaction rates using (19)F NMR spectroscopy revealed a first-order dependence on mixed dimer, a zeroth-order dependence on THF, and a half-order dependence on the PhCCLi concentration. The rate law is consistent with the addition of a disolvated PhCCLi monomer to the mixed dimer. Investigation of the 1,2-addition of PhCCLi to an O-protected quinazolinone implicates reaction via trisolvated PhCCLi monomers. 相似文献
7.
Bradford P. Mundy Ramanuajan Srinivasa Rodney D. Otzenberger A.Richard DeBernardis 《Tetrahedron letters》1979,20(29):2673-2676
The formation of the initial carbonium ion in the pinacol rearrangement will be the major factor in determining product composition when the reaction is carried out at 0°C with concentrated sulfuric acid. 相似文献
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The role of solvent (and other species) in the formation of networks from tetrakis(thiourea)platinum(II) cations and croconate anions is examined, with crystallisations from DMSO giving rise to a structure containing solvent filled channels. 相似文献
9.
Paul D. Beer Zheng Chen Philip A. Gale Jennifer A. Heath Rachel J. Knubley Mark I. Ogden Michael G. B. Drew 《Journal of inclusion phenomena and macrocyclic chemistry》1994,19(1-4):343-359
The synthesis, metal, ammonium and alkyl ammonium cation coordination chemistry and electrochemical recognition studies of new diester-and diamide-calix[4]arenediquinone receptors are described. In addition the synthesis and coordination properties of a novel diamide benzo-15-crown-5-calix[4]arene molecule is reported.This paper is dedicated to the commemorative issue on the 50th anniversary of calixarenes. 相似文献
10.
Charles L. Wilkins Milan Randić Sheldon M. Schuster Rodney S. Markin Steven Steiner Lonnie Dorgan 《Analytica chimica acta》1981,133(4):637-645
Characterization of molecular species based on the use of suitable graph invariants (graph paths, in particular) can provide a quantitative means of encoding structure; the technique is complementary to commoner approaches to studies of quantitative structure— activity relationships. Graph path encoding is here applied to quantitative studies of relationships between molecular structures and biological activity; the examples are the rates of various substrate reactions with hexoldnase, and the potential opiate-like activity of enkephalin analogs. 相似文献