KEYWORDSThis article presents our research concerning the synthesis of new thiophene-thiourea derivatives (1-12) and their pharmacological properties. These novel thiophene-thiourea derivatives were synthesized and characterized by IR, 1 H and 13 C NMR spectroscopy, mass spectrometry and elemental analysis. The crystal structure of N,N-diphenyl-N'-(thiophene-2carbonyl)-thiourea was determined from single crystal X-ray diffraction data. It crystallizes in the monoclinic space group P21 with unit cell dimensions of a=11.7469(5) Å, b=6.0849(2) Å, c=12.5792(6) Å, β= 117.736(7) ° and V = 795.8(6) Å 3 . The mass fragmentation pattern has also been discussed. The synthesized compounds were screened for their in vitro antifungal activities against the standard strains: C. Albicans, C. Glabrata, and C. Tropicalis. The compounds N-

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DFT calculations were carried out in order to study the second-order nonlinear optical (NLO) response of a series of proposed 2D polyoxometalate-based terpyridine-substituted compounds. These compounds can be formulated as [Mo 6 O 17 {N 4 C 25 H 16 (X) 2 }{N 4 C 25 H 16 (X) 2 }] 2-(X = H, F, Cl, Br, I, CF 3 , or CN), which has a wedge Λ-shaped acceptor--π-conjugated bridge--donor--π-conjugated bridge--acceptor (A-π-D-π-A) configuration. The calculations showed that these compounds possess significantly large molecular secondorder polarizabilities that range from approximately 1000 ϫ 10 -30 to 4300 ϫ 10 -30 esu. The combination of trifluoromethyl (CF 3 ) and cyanide (CN) groups at the end of the terpyridine ligand strengthens the bridge conjugation, which is useful for the enhancement of the NLO response.

KEYWORDSNickel and copper metal complexes of N-(R-carbamothioyl)-4-nitrobenzamide (R = diphenyl and ethylbutyl) were synthesized and characterized by IR, 1 H NMR, mass spectrometry and elemental analysis. The spectroscopic data are consistent with the ligand and the metal complexes containing two O and S chelated ligands. N-(diphenylcarbamothioyl)-4nitrobenzamide, HL 1 , was characterized by a single crystal X-ray diffraction study. It crystallizes in the triclinic space group P1 with unit cell dimensions of a = 6.8044(4) Å, b = 10.0113(6) Å, c = 13.2365(8) Å, α = 6.8044(4) °, β = 78.171(4) °, γ = 13.2365(8)°, V = 882.43(9) Å 3 . The ligands coordinate as bidentates yielding essentially neutral complexes of the type [ML2]. The ligands and complexes were screened for their in vitro antibacterial activities and comparatively the complexes showed greater antibacterial efficacy than the thiourea derivative ligands.Thiourea derivatives Transition metal complexes X-ray structure determination Phase-transfer catalyst Antibacterial activity

New thiazole-based chiral N,P-ligands that are open-chain analogues of known cyclic thiazole ligands have been synthesized and evaluated in the iridium-catalyzed asymmetric hydrogenation of trisubstituted olefins. Chirality was introduced into the ligands through a highly diastereoselective alkylation using Oppolzer's camphorsultam as chiral auxiliary. In general, the new catalysts are as reactive and selective as their cyclic counterparts for the asymmetric hydrogenation of various trisubstituted olefins.