The crossed molecular beams reaction of ground state cyano radicals (CN) with diacetylene (HCCCCH) was studied in the laboratory under single collision conditions. Combining the derived center-of-mass translational energy and angular distributions with novel electronic structure calculations, we show that the linear cyanodiacetylene molecule (HCCCCCN) is the sole reaction product. Our study pro...

Isomers of C11H8 have been theoretically examined using density functional theory and coupled-cluster methods. The current investigation reveals that 2aH-cyclopenta[cd]indene (2), 7-ethynyl-1H-indene (6), 4-ethynyl-1H-indene (7), 6-ethynyl-1H-indene (8), 5-ethynyl-1H-indene (9), 7bH-cyclopenta[cd]indene (10) remain elusive till date in the laboratory. puckered low-lying isomer 2 lies at 9 kJ mo...

Efficient emission from various donor-acceptor quinolines with an ethynyl linkage (PnQ), which are known as efficient electrogenerated chemiluminescent molecules, was observed with time-resolved fluorescence measurement during the pulse radiolysis in benzene. On the basis of the transient absorption and emission measurements, and steady-state measurements, the formation of PnQ in the singlet ex...

The ethynyl-phenylene substituted 2,2':6',2''-terpyridine (tpy) derivatives, 4-(phenyl-ethynyl)-2,2':6',2''-terpyridine (L(1)), 4-(methoxyphenyl-ethynyl)-2,2':6',2''-terpyridine (L(2)), 4-(tolyl-ethynyl)-2,2':6',2''-terpyridine (L(3)) and 4-(nitrophenyl-ethynyl)-2,2':6',2''-terpyridine (L(4)) have been used to synthesize four new [RuCl(2,2'-bipyridine)(L(n))]PF6 based complexes. Electronic abso...

Recent studies have shown that irreversible inhibition of Nek2 kinase [(Never in mitosis gene a)-related kinase 2], overexpression of which is observed in several cancers, can be achieved using Michael acceptors containing an ethynyl group, which target the enzyme's cysteine 22 residue lying near the catalytic site. The model studies described herein demonstrate an analogous capture of the ethy...

A π-radical ligand (9-[4-(6-oxo-1,5-dimethylverdazyl)phenyl]-10-[5-(2,2'-bipyridyl)ethynyl]anthracene, L1) with a photo-excited high-spin quartet state (S = 3/2) and its iron(II) complex [Fe(L1){H(2)B(Pz)(2)}(2)] (1) {H(2)B(Pz)(2)(-) = dihydrobis(1-pyrazolyl)borate} were synthesized as a candidate for a new strategy for spin-crossover compounds exhibiting light-induced excited spin state trappi...

The use of atomi~ly-controlled reactive chemical forces via modified sca~~g-probe microscope tips provides a potentially powerful way of building nanodevices. In this work, we use atomistic simulations to explore the feasibility of one such system, namely the selective abs~action of hydrogen from a diamond surface using a tip with a chemisorbed ethynyl radical. We characterize reaction rates an...

The title compound, C(16)H(12)O(2), contains two prop-2-yn-1-yl-oxy groups attached to a naphthalene ring system at the 1- and 6-positions. The crystal packing includes an inter-molecular C-H⋯π inter-action between a terminal ethynyl H atom and an ethynyl group on a glide-related mol-ecule and another inter-action between an O-atom-linked methyl-ene H and an ethynyl group of a different glide-r...

Recently, 4'C-ethynyl nucleoside analogues have been identified as highly potent agents against HIV-1, including several multidrug-resistant strains. In contrast to most known nucleoside inhibitors 4'C-ethynyl nucleoside analogues possess a 3'-hydroxyl function. Here we show that the 5'O-triphosphate of 4'C-ethynyl thymidine gets readily incorporated into a nascent DNA strand by HIV-1 reverse t...

1,4-Bis[trimethylsilyl(ethynyl)]naphthalene () and 1,4-bis[trimethylsilyl(ethynyl)]anthracene () undergo diastereoselective coupling with Cp2Zr(py)(Me3SiC[triple bond, length as m-dash]CSiMe3) to give trimeric macrocycles in good yield.