01958nas a2200169   4500008004100000022001400041245008900055210006900144260011000213300001400323490000700337520127300344100001701617700002101634700001601655856011701671       2010                        eng d  a1463-907600aCDASE-A reliable scheme to explain the reactivity sequence between Diels-Alder pairs0 aCDASEA reliable scheme to explain the reactivity sequence betwee  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcJUL  a9328-93380 v123 a<p>The reliability of the Comprehensive Decomposition Analysis of Stabilization Energy (CDASE) scheme, proposed recently (Phys. Chem. Chem. Phys., 2009, 11, 8306), has been demonstrated in the present study. Reactivity sequence among more than 100 pairs, taking part in Diels-Alder (DA) reaction, is successfully generated by this scheme. The diene series consisted mainly of cis-1,3-butadiene and different substituted butadienes whereas dienophiles are mainly ethylene and its different substitutions. Both the positive energy component (i.e., the energy parameter defined as `internal assistance') and the negative energy component could generate the expected reactivity trend among the chosen DA pairs, which is also supported by the global electrophilicities of dienes and dienophiles and the corresponding charge-transfer values (Delta N). The numerical values of these components are capable of predicting even the `normal electron demand' (NED) and `inverse electron demand' (IED) nature of the corresponding DA reaction. The method is also capable of reproducing the lower reactivity of acetylene as dienophile when compared to that of ethylene. The reason for the success of CDASE-scheme in explaining intermolecular reactivity sequence is also analysed.</p>1 aSaha, Soumen1 aRoy, Ram, Kinkar1 aPal, Sourav  uhttps://library.ncl.res.in/content/cdase-reliable-scheme-explain-reactivity-sequence-between-diels-alder-pairs-001515nas a2200217   4500008004100000022001400041245010000055210006900155260011000224300001600334490000700350520068400357100001901041700001801060700002301078700001701101700001901118700001701137700001901154856012401173       2016                        eng d  a1477-922600aReductive nitrosylation of nickel(II) complex by nitric oxide followed by nitrous oxide release0 aReductive nitrosylation of nickelII complex by nitric oxide foll  aTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLANDbROYAL SOC CHEMISTRYcMAY  a10200-102080 v453 a<p>Ni(II) complex of ligand L (L = bis(2-ethyl-4-methylimidazol-5-yl)methane) in methanol solution reacts with an equivalent amount of NO resulting in a corresponding Ni(I) complex. Adding further NO equivalent affords a Ni(I)-nitrosyl intermediate with the {NiNO}(10) configuration. This nitrosyl intermediate upon subsequent reaction with additional NO results in the release of N2O and formation of a Ni(II)-nitrito complex. Crystallographic characterization of the nitrito complex revealed a symmetric eta(2)-O,O-nitrito bonding to the metal ion. This study demonstrates the reductive nitrosylation of a Ni(II) center followed by N2O release in the presence of excess NO.</p>1 aGhosh, Somnath1 aDeka, Hemanta1 aDangat, Yuvraj, B.1 aSaha, Soumen1 aGogoi, Kuldeep1 aVanka, Kumar1 aMondal, Biplab  uhttps://library.ncl.res.in/content/reductive-nitrosylation-nickelii-complex-nitric-oxide-followed-nitrous-oxide-release