10599-90-3Relevant academic research and scientific papers
Rate constants for quenching and self-annihilation of NCl(a1Δ)
Komissarov, Anatoly V.,Manke II, Gerald C.,Davis,Heaven, Michael C.
, p. 8427 - 8434 (2002)
Quenching and self-annihilation rate constants for NCl(a) have been determined using pulsed 248 nm photolysis of ClN3 to generate the metastable. Previous quenching measurements that employed different sources for NCl(a) yielded dramatically different rate constants. The present study provided quenching rate constants for Cl2, HCl, and H2 that are in good agreement with the discharge flow measurements of Hewett et al. (J. Phys. Chem. A 2000, 104, 539). Determination of the self-annihilation rate constant required knowledge of the branching fraction for NCl(a) formation for 248 nm photolysis of ClN3. This information was obtained from time-resolved measurements of NCl(X) formation and decay. A lower bound for the branching fraction of 0.7 was determined. Self-annihilation of NCl(a) was studied by using intense photolysis pulses to generate high concentrations of NCl(a). Analysis of the second-order decay component yielded a rate constant of (7.0 ± 1.5) × 10-13 cm3 s-1. This value is an order of magnitude smaller than the previous estimate (Henshaw et al. J. Phys. Chem. A 1997, 101, 4048).
Theoretical and experimental studies of the all gas-phase iodine laser
Endo,Nakamura,Masuda,Uchiyama
, p. 1452 - 1456 (2009)
All gas-phase iodine laser (AGIL) powered by the decomposition of nitrogen trichloride (NCl3) is studied. This reaction scheme uses commonly available reagents and reaction paths are milder than the previously studied azide-based AGIL. Theoreti
Kinetics and Mechanism of the Reaction of NFCl2 with Hydrogen Atoms
Exton, D. B.,Gilbert, J. V.,Coombe, R. D.
, p. 7758 - 7762 (1991)
The reaction of gaseous NFCl2 with excess H atoms has been observed in a continuous flow reactor.The reaction produces excited singlet states (a1Δ, b1Σ+) of NF and NCl and is thougth to proceed by a two-step mechanism in which H atoms react with NFCl2 to produce primarily HCl and NFCl, followed by the H + NFCl reaction which proceeds to both HCl + NF and HF + NCl.The rate constant of the first step, H + NFCl2, is (2.6 +/- 0.2) * 10-12 cm3 s-1 at 298 K.The rate constant of the second step, H + NFCl, was too great to be accurately measured with our apparatus.Overall, the two-step process shows a roughly 10-fold preference for the production of NF(a1Δ) over NCl(a1Δ).The generation of both NF(a1Δ) and NCl(a1Δ) in this system results in energy pooling among these species which produces NF(b1Σ+).This process is significantly enhanced by the admission of HI to the reaction medium.
Conjugate addition from the excited state
Iyer, Akila,Ahuja, Sapna,Jockusch, Steffen,Ugrinov, Angel,Sivaguru, Jayaraman
, p. 11021 - 11024 (2018)
Conjugate addition occurs efficiently from excited hydrazide based acrylanilides under both UV and metal free visible light irradiations. The reaction proceeds via an excited state encounter complex that bifurcates either via an electron or energy transfer pathway. The generality of excited state conjugate addition is demonstrated using chloromethylation and by thiol addition.
Photodissociation of chlorine isocyanate
Bell, D. D.,Coombe, R. D.
, p. 1317 - 1322 (1985)
Gaseous ClNCO exhibits a continuous ultraviolet absorption feature peaked near 250 nm.Photolysis of this compound at 249 nm produces bright blue emission identified as the A2Σ+ -> X2Π transition in NCO.The excited NCO arises from a collisional process in which N(2D) atoms, produced directly by the photodissociation, react with the parent ClNCO.The rate constant for this process is k = (2.1 +/- 0.2)*10-11 cm3 s-1. From production of N(2D) by the 249 nm photolysis, the heat of formation of gaseous ClNCO is inferred to be ΔHf(ClNCO) >= 52.9 kcal mol-1. ClNCO is metastable with respect to the ground electronic states of NCl and CO by 8.2 kcal mol-1.
Photodissociation dynamics of C1N3 at 203 nm: The NC1 (a1Δ/X3∑-) product branching ratio
Hansen,Wodtke,Komissarov,Heaven
, p. 568 - 573 (2003)
Velocity map imaging was applied to study the photodissociation dynamics of ClN3 near 203 nm under collision free conditions. Images of state-selected N2(X1∑g+, v = 0. J = 68) characterize the interna
Quenching Rate Constants for NCl(b1Σ+) and PCl(b1Σ+) and Radiative Lifetimes of NCl(b1Σ+), PCl(b1Σ+) and PBr(b1Σ+)
Zhao, Yao,Setser, D. W.
, p. 2979 - 2988 (1995)
NCl(b1Σ+), PCl(b1Σ+) and PBr(b1Σ+) molecules have been generated in a flow reactor by passing dilute flows of NFCl2, PCl3 and PBr3 in He through a dc discharge, and the total rate constants for quenching of NCl(b1Σ+) and PCl(b1Σ+) by several diatomic and small polyatomic molecules have been measured at 300 K.Except for O2, NO2 and molecular halogenes, the rate constants are in the 1E-13 - 1E-14 cm3 molecule-1 s-1 range.The dependence of the rate constants on the properties of the reagent suggests that the dominant quenching mechanism for PCl(b) and NCl(b) is electronic-to-vibrational (E-V) energy transfer with the a1Δ state as the product, just as for the reactions of NF(b1Σ+) and PF(b1Σ+).The rate constants for quenching of NCl(b1Σ+) and PCl(b1Σ+) by O2 are 1.0E-12 and 3 molecule-1 s-1, respectively, and are in accord with an electronic-to-electronic (E-E) energy transfer with the final states being O2(b1Σ+) + NCl(X3Σ+) or PCl(X3Σ-).Formation of PBr(b1Σ+) from the PCl(b1Σ+) + Br2 reaction was observed, and quenching of PCl(b1Σ+) by F2, Cl2 and Br2 proceeds by a chemical mechanism with rate constants of 2.3E-12, 0.79E-12 and 16E-12 cm3 molecule-1 a-1, respectively.The radiative lifetimes for NCl(b1Σ+), PCl(b1Σ+) and PBr(b1Σ+) are 2.0 +/- 0.4, 4.9 +/- 0.8 and 0.8 +/- 0.2 ms, respectively, as determined from the decay of the respective b1Σ+ -> X1Σ- emission intensities along the flow reactor.
Synthesis and antiproliferative assessments of new derivatives of isothiazolo[3,4-d]pyrimidine
Khoshniazi, Hamideh,Eshghi, Hossein,Tayarani-Najjaran, Mona,Tayarani-Najaran, Zahra,Saadat, Kayvan,Shiri, Ali
, p. 193 - 201 (2021)
Various derivatives of 5-aryl-4-imino-3-(phenylamino)-4,5-dihydroisothiazolo[3,4-d]pyrimidines (3a-f) were synthesized. The synthesis has been done through treatment of 3-amino-4-cyano-5-(phenylamino)isothiazole with various aryl isothiocyanates. The isothiazole skeleton was obtained by the reaction of malononitrile and phenyl isothiocyanate followed by chloramine treatment. Some of the synthesized dihydroisothiazolo[3,4-d]pyrimidines were tested against different cancer cell lines, including ACHN, HeLa, HL-60, MCF-7, and PC3. Malignant cells were cultured in RPMI medium and incubated with different concentrations of the mentioned compounds. Cell viability was assessed using the MTS assay. The cytotoxicities of the synthesized compounds are not significant and are probably safe for other biological use.
The Cl to NCl branching ratio in 248-nm photolysis of chlorine azide
Wodtke, Alec M.,Hansen, Nils,Robinson, Jason C.,Sveum, Niels E.,Goncher, Scott J.,Neumark, Daniel M.
, p. 334 - 337 (2004)
The primary reaction products from 248-nm chlorine azide photolysis are identified in a collision-free experiment. In contrast to all previous reports, the radical channel producing Cl+N3 (95±3%) is seen to dominate the photochemistry. The molecular channel producing NCl+N2 (5±3%) was also observed.
The microwave spectrum of the NCI radical in the electronically excited (a1Δ) state
Kobayashi, Kaori,Goto, Masahiro,Yamamoto, Satoshi,Saito, Shuji
, p. 8865 - 8870 (1996)
The pure rotational spectrum of the 14N35Cl radical in the first electronically excited a 1Δ state was detected by microwave spectroscopy. The NCl radical was produced by a de-glow discharge of an N2 and Cl2 mixture between 175-210 K. Seven rotational transitions for ν=0 and five for ν=l, showing hyperfine structures due to the nitrogen and chlorine nuclei, were observed in the 162-404 GHz region. The rotational, centrifugal distortion, and hyperfine coupling constants including nuclear spin-rotation coupling constant of the chlorine nucleus were determined accurately by a least-squares analysis of the measured frequencies. The equilibrium structural parameters were derived and discussed.
