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81.
Dr. Lidia A. Maslovskaya Dr. Andrei I. Savchenko Prof. Elizabeth H. Krenske Dr. Sharon Chow Tina Holt Dr. Victoria A. Gordon Dr. Paul W. Reddell Carly J. Pierce Prof. Peter G. Parsons Prof. Glen M. Boyle Prof. Andrei G. Kutateladze Prof. Craig M. Williams 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(51):11862-11867
Structurally unique halimanes EBC-232 and EBC-323, isolated from the Australian rainforest plant Croton insularis, proved considerably difficult to elucidate. The two diastereomers, which consist an unusual oxo-6,7-spiro ring system fused to a dihydrofuran, were solved by unification and consultation of five in silico NMR elucidation and prediction methods [i.e., ACDLabs, olefin strain energy (OSE), DP4, DU8+ and TD DFT CD]. Structure elucidation challenges of this nature are prime test case examples for empowering future AI learning in structure elucidation. 相似文献
82.
Fatima Erragh Ali Boukhari Brahim Elouadi Elizabeth M. Holt 《Journal of chemical crystallography》1991,21(3):321-326
Na2CoP2O7 may be prepared in two allotropie forms:I, rose,M
r
=278.85, triclinic, P1,a=9.735(2),b=10.940(3),c=12.289(4) Å,=148.78,=121.76(1), =68.38(2)°,V=566.8(2) Å3,Z=4,D
meas=3.28(5) g cm–3,D
calc=3.267 g cm–3, (MoK)=0.71069 Å,=37.12 cm–1, F(000)=540,T=298 K,R=5.4% for 2911 observed reflections; andII, blue,M
r
=278.85, orthorhombic, P21cn,a=7.713(2) Å,b=10.271(4),c=15.378(6)°,V=1218.2(8) Å3,Z=8,D
meas=3.06(5) g cm–3,D
calc=3.040 g cm–1, (MoK
) Å,=34.55 cm–1, F(000)=1080,T=298 K,R=9.9% for 1450 observed reflections. Cobalt displays octahedral coordination to six oxygen atoms in the rose form whereas the metal coordination is tetrahedral in the blue form. 相似文献
83.
Wilton-Ely JD Solanki D Knight ER Holt KB Thompson AL Hogarth G 《Inorganic chemistry》2008,47(20):9642-9653
Treatment of cis-[RuCl2(dppm)2] (dppm = bis(diphenylphosphino)methane) with dithiocarbamates, NaS2CNR2 (R = Me, Et) and [H2NC5H10][S2CNC5H10], yields cations [Ru(S2CNR2)2(dppm)2](+) and [Ru(S2CNC5H10)2(dppm)2](+), respectively. The zwitterions S2CNC4H8NHR (R = Me, Et) react with the same metal complex in the presence of base to yield [Ru(S2CNC4H8NR)(dppm)2](+). Piperazine or 2,6-dimethylpiperazine reacts with carbon disulfide to give the zwitterionic dithiocarbamate salts H2NC4H6(R2-3,5)NCS2 (R = H; R = Me), which form the complexes [Ru(S2CNC4H6(R2-3,5)NH2)(dppm)2](2+) on reaction with cis-[RuCl2(dppm)2]. Sequential treatment of [Ru(S2CNC4H8NH2)(dppm)2](2+) with triethylamine and carbon disulfide forms the versatile metalla-dithiocarbamate complex [Ru(S2CNC4H8NCS2)(dppm)2] which reacts readily with cis-[RuCl2(dppm)2] to yield [{Ru(dppm)2}2(S2CNC4H8NCS2)]. Reaction of [Ru(S2CNC4H8NCS2)(dppm)2] with [Os(CH=CHC6H4Me-4)Cl(CO)(BTD)(PPh3)2] (BTD = 2,1,3-benzothiadiazole), [Pd(C6H4CH2NMe2)Cl]2, [PtCl2(PEt3)2], and [NiCl2(dppp)] (dppp = 1,3-bis(diphenylphosphino)propane) results in the heterobimetallic complexes [(dppm)2Ru(S2CNC4H8NCS2)ML(n))](m+) (ML(n) = Os(CH=CHC6H4Me-4)(CO)(PPh3)2](+), m = 1; ML(n) = Pd(C,N-C6H4CH2NMe2), m = 1; ML(n) = Pt(PEt3)2, m = 2; ML(n) = Ni(dppp), m = 2). Reaction of [NiCl2(dppp)] with H2NC4H8NCS2 yields the structurally characterized compound, [Ni(S2CNC4H8NH2)(dppp)](2+), which reacts with base, CS2, and cis-[RuCl2(dppm)2] to provide an alternative route to [(dppm)2Ru(S2CNC4H8NCS2)Ni(dppp)](+). A further metalla-dithiocarbamate based on cobalt, [CpCo(S2CNC4H8NH2)(PPh3)](2+), is formed by treatment of CpCoI2(CO) with S2CNC4H8NH2 followed by PPh3. Further reaction with NEt3, CS2, and cis-[RuCl2(dppm)2] yields [(Ph3P)CpCo(S2CNC4H8NCS2)Ru(dppm)2](2+). Heterotrimetallic species of the form [{(dppm)2Ru(S2CNC4H8NCS2)}2M](2+) result from the reaction of [Ru(S2CNC4H8NCS2)(dppm)2] and M(OAc)2 (where M = Ni, Cu, Zn). Reaction of [Ru(S2CNC4H8NCS2)(dppm)2] with Co(acac)3 and LaCl3 results in the formation of the compounds [{(dppm)2Ru(S2CNC4H8NCS2)}3Co](3+) and [{(dppm)2Ru(S2CNC4H8NCS2)}3La](3+), respectively. The electrochemical behavior of selected examples is also reported. 相似文献
84.
Laura Ciobanu Susan Hermiller Derek Holt Sarah Rees 《Israel Journal of Mathematics》2016,211(1):311-347
We study the regularity of several languages derived from conjugacy classes in a finitely generated group G for a variety of examples including word hyperbolic, virtually abelian, Artin, and Garside groups. We also determine the rationality of the growth series of the shortlex conjugacy language in virtually cyclic groups, proving one direction of a conjecture of Rivin. 相似文献
85.
86.
Holt JJ Calitree BD Vincek J Gannon MK Detty MR 《The Journal of organic chemistry》2007,72(7):2690-2693
9-formyljulolidine was oxidized via a microwave-assisted Willgerodt-Kindler reaction to the N-piperidine or N-morpholine julolidine-9-thioamide. 9-formyl-1,1,7,7-tetramethyljulolidine gave the corresponding N-piperidine tetramethyljulolidine-9-thioamide. The thioamides were converted to the corresponding carboxamides with trifluoroacetic anhydride. The amide group directed ortho-metalation in the julolidine system, but not in the tetramethyljulolidine system. The resulting anion was captured by dichalcogenide electrophiles. The resulting products were converted to chalcogenoxanthones with phosphorus oxychloride and triethylamine (POCl3/Et3N). 相似文献
87.
MJ Singh DO Kataria N Madhavan P Sugathan JJ Das DK Awasthi AK Sinha R Shanker 《Pramana》1999,53(4):743-764
A projectile ion-recoil ion coincidence technique has been employed to study the multiple ionization and the charge transfer
processes in collisions of 60–120 MeV Si
q+ (q = 4−14) ions with neutral argon atoms. The relative contribution of different ionization channels, namely; direct ionization,
electron capture and electron loss leading to the production of slow moving multiply charged argon recoil ions have been investigated.
The data reported on the present collision system result from a direct measurement in the considered impact energy for the
first time. The total ionization cross-sections for the recoil ions are shown to scale as q
1.7/E
p
0.5
, where E
p is the energy in MeV of the projectile and q its charge state. The recoil fractions for the cases of total- and direct ionizations are found to decrease with increasing
recoil charge state j. The total ionization fractions of the recoils are seen to depend on q and to show the presence of a ‘shell-effect’ of the target. Further, the fractions are found to vary as 1/j
2 upto j = 8+. The average recoil charge state 〈j〉 increases slowly with q and with the number of lost or captured electrons from or into the projectile respectively. The projectile charge changing
cross-sections σ
qq′ are found to decrease with increasing q for loss ionization and to increase with q for direct-and capture ionization processes respectively. The physics behind various scaling rules that are found to follow
our data for different ionization processes is reviewed and discussed. 相似文献
88.
KM Varier AM Vinodkumar NVSV Prasad PV Madhusudhana Rao DL Sastry Lagy T Baby MC Radhakrishna NG Puttaswamy JJ Das P Sugathan N Madhavan AK Sinha DO Kataria 《Pramana》1999,53(3):529-533
Large enhancements have been observed in the sub-barrier fusion cross sections for Ti+Ni systems in our previous studies.
Coupled channel calculations incorporating couplings to 2+ and 3− states failed to explain these enhancements completely. A possibilty of transfer channels contributing to the residual enhancements
had been suggested. In order to investigate the role of relevant transfer channels, measurements of one- and two-nucleon transfer
were carried out for 46,48Ti+61Ni systems. The present paper gives the results of these studies. 相似文献
89.
The non-stoichiometry and chemical diffusion coefficient of SrFe1−xCoxO3-δ have been measured by steady state and transient thermogravimetry in the temperature range 750–1200 °C at different oxygen
partial pressures. At high oxygen partial pressures, the chemical diffusion coefficient was in the range 1·10−4 – 7·10−4 cm2/s. This, combined with high concentration of disordered vacancies make these materials perhaps the fastest solid oxygen ion
diffusers known at high temperatures and high oxygen partial pressures. However, due to the high concentration of defects
in SrFe1−xCoxO3-δ the compound transforms from a cubic (disordered) perovskite to a brownmillerite type of structure under reduced oxygen partial
pressures below approx. 900 °C. Due to this phase transition, the mobility of oxygen vacancies in SrFe1−xCoxO3-δ decreases up to about an order of magnitude at 850 °C. We also observe an ordering effect at 1000 °C, although smaller in
size, and this is suggested to be due to short range ordering of four-coordinated polyhedra of Fe. For possible use as oxygen
separation membranes, phase stability against sulphur and carbon containing atmospheres is also discussed with respect to
the formation of carbonates and sulphates.
Paper presented at the 6th Euroconference on Solid State Ionics, Cetraro, Calabria, Italy, Sept. 12–19, 1999. 相似文献
90.