• Prof Eluvathingal D Jemmis Ph.D., FASc, FNA, FTWAS
  • Repatriated to IISc, Bangalore on 6th June 2013, Chemistry
  • Email : jemmis
  • Web-link : http://ipc.iisc.ernet.in/~jemmis/


117. G.N. Srinivas, T.P. Hamilton, E.D. Jemmis, M.L. McKee and K. Lammertsma, Will an h3-Si3H3 Ligand Form Sandwich Compounds With Main Group Elements? J. Am. Chem. Soc., 122, 1725-1728 (2000).

118. M.M. Balakrishnarajan and E.D. Jemmis, Electronic Requirements of Polycondensed Polyhedral Boranes, J. Am. Chem. Soc., 122, 4516-4517 (2000).

119. E.D. Jemmis and M.M. Balakrishnarajan, ab-initio Predictions on Novel Stuffed Polyhedral Boranes, J. Am. Chem. Soc., 122, 7392-7393 (2000).

120. E.D. Jemmis, G. Subramanian, A. Nowek, R.W. Gora, R.H. Sullivan and J. Leszczynski, C-H—p Interactions Involving Acetylene: An ab initio MO Study, J. Mol. Str. Theochem., 556, 315-320 (2000).

121. E.D. Jemmis, M. Manoharan and P.K. Sharma, Exohedral h5- and h6-Transition Metal Organometallic Complexes of C60 and C70: A Theoretical Study, Organometallics, 19, 1879-1887 (2000).

122. G. Mehta, R. Vidya, P.K. Sharma and E.D. Jemmis, Aza-Bowls: Synthesis and Molecular Structure of Triaza-[3]-Peristylane, Tetrahedron Letters, 41, 2999-3002 (2000).

123. The Relation Between Polymorphs of Elements and Their Compounds: The Story of Boron, in “New Millennium Lectures: Celebration of Science”, Indian Science Congress 2000 Pune; Published by CSIR New Delhi (2000).

124. E.D. Jemmis, A.K. Phukan and U. Rosenthal, Structure and Bonding of Metallacyclocumulenes, Radialenes, Butadiyne Complexes and Their Possible Interconversion: A Theoretical Study, J. Organomet. Chem., 635, 204-211, (2001).

125. E.D. Jemmis, M.M. Balakrishnarajan and P.D. Pancharatna, A Unifying Electron-Counting Rule for Macropolyhedral Boranes, Metallaboranes and Metallocenes, J. Am. Chem. Soc., 123, 4313-4323 (2001).

126. E.D. Jemmis and M.M. Balakrishnarajan, Polyhedral Boranes and Elemental Boron: Direct Structural Relations and Diverse Electronic Requirements, J. Am. Chem. Soc., 123, 4324-4330 (2001).

127. E.D. Jemmis, M. Ramalingam and E.G. Jayasree, Cationic closo-Carboranes Promising – Weakly Coordinating Ions, J. Compu. Chem., (Schleyer Issue), 22, 1542-1551 (2001).

128. E.D. Jemmis and P.K. Sharma, A Theoretical Study of Transition Metal Complexes of C60 and C70 and Their Ring-opened Alternatives, J. Mol. Graphics and Modelling, 19, 256-265 (2001).

129. E.D. Jemmis, M.M. Balakrishnarajan and P.D. Pancharatna, Missing Hydrogens in B19H20-? Application of Electron Counting Rule for Edge Sharing Macropolyhedral Boranes, Inorg. Chem., 40, 1730-1731 (2001).

130. B. Kiran, A.K. Phukan and E.D. Jemmis, Is Borazine Aromatic? Unusual Parallel Behavior Between Hydrocarbons and Corresponding B-N Analogs, Inorg. Chem., 40, 3615-3618 (2001).

131. E.D. Jemmis, M.M. Balakrishnarajan and P.D. Pancharatna, Electronic Requirements for Macropolyhedral Boranes, Chem. Rev., 102(1) 93-144 (2002).

132. D. Moran, F. Stahl, E.D. Jemmis, H.F. Schaefer III and P.v.R. Schleyer, Structures, Stabilities and Ionization Potentials of Dodecahedrane Endohedral Complexes, J. Phys. Chem., 106, 5144-5154 (2002).

133. B. Kiran, A. Anoop and E.D. Jemmis, Control of Stability through Overlap Matching: closo-Carborynes and closo-Silaborynes, J. Am. Chem. Soc., 124, 4402-4407 (2002).

134. E.D. Jemmis, A.K. Phukan and K.T. Giju, Dependence of the Structure and Stability of Cyclocumulenes and Cyclopropenes on the replacement of CH2 group by Titanocene and Zirconocene: A Density Functional Theory Study, Organometallics, 21, 2254-2261 (2002).

135. E.D. Jemmis and E.G. Jayasree, The Relation Between Polyhedral Borane Sandwiches and Endohedral Complexes; The Electronic Structure and Stability of XaYmBnHn+m q (X=He, Ne, Li, Be; Y=B, C, Si; m=0-3; n=12-9; q=-2 to +2); (C2B4H6)2X q (X=Li,Al,Si; q=-3,-1,0) and X2aB17H17 q (X=He, Li; q=2, 0), Collection of Czechoslovak Chemical Communications, 67, 965-990 (2002).

136. Edited: Recent Developments in Boranes and Macropolyhedral Boranes, Proceedings of Indian National Science Academy: A, Special Issue., Vol. 68 (2002).

137. G. Mehta, C. Le Droumagueta, K. Islam, A. Anoop, E.D. Jemmis, Face-selectivity in [4+2]-cycloadditions to novel polyclic benzoquinones. Remarkable Stereodirecting effects of remote cyclopropane ring and an olefinic bond, Tetrahedron Letters, 44 (15) 3109-3113 (2003).

138. K.T. Giju, A.K. Phukan and E.D. Jemmis, Stabilization of Tricoordinate Pyramidal Boron, Angewandte Chemie, Intl. Ed. Eng., 42, 539-542 (2003).

139. E.D. Jemmis and P.D. Pancharatna, Condensed Polyhedral Boranes and Analogous Organometallic Clusters – A Molecular Orbital and Density Functional Theory Study on the Cap-Cap Interactions, Applied Organometallic Chemistry, 17, 480-492 (2003).

140. E.D. Jemmis, P. Parameswaran and A. Anoop, Effect of Metal Complexation on Ring Opening of Bowl-Shaped Hydrocarbons: Theoretical Study, Intnl. J. Quant. Chem., 95, 810-815 (2003).

141. M.M. Balakrishnarajan, R. Hoffmann, P.D. Pancharatna and E.D. Jemmis, Magic Electron Counts and Bonding in Tubular Boranes, Inorg. Chem., 42(15), 4650-4659 (2003).

142. Boron, Borides and Boranes, Proceedings of Asia Academic Seminar on New Materials, Eds. P. Rama Rao, M. Doyama, G. Sunderarajan, Y.R. Mahajan, K. Oda, ARCI (India) and JSPS (Japan), 19-26 (2003).

143. E.D. Jemmis, E. G. Jayasree, The Rearrangement of Dicarboranyl Methyl Cation: A Possible Synthetic Strategy Toward Cationic closo-Tricarbaboranes, Inorganic Chemistry, 42, 7725-7727, (2003).

144. E.D. Jemmis, R. Saradha, A. Saieswari and E.G. Jayasree, Ab initio molecular orbital studies on the structural isomers of C3Si2H4, Indian J. Chem. A., 42A, 2382-2392 (2003).

145. E.D. Jemmis and E.G. Jayasree, Analogies Between Carbon and Boron, Acc. Chem. Res., 36, 816-824, (2003).

146. G.N. Srinivas, A. Anoop, E.D. Jemmis, T.P. Hamilton, K. Lammertsma, J. Leszczynski, H.F. Schaefer III, Non-planarity at Tri-coordinated Aluminum and Gallium. Cyclic Structures for X3Hnm, J. Am. Chem. Soc., 125(52); 16397-16407,(2003)

147. E.D. Jemmis, A.K. Phukan, H. Jiao, U. Rosenthal, Structure and Neutral Homoaromaticity of Metallacyclopentene, pentadiene, pentyne and pentratriene: A Density Functional Study, Organometallics, 22(24); 4958-4965 (2003).

148. Theoretical Studies in Organolithium Chemistry, in The Chemistry of Organolithium Compounds, (With G. Gopakumar), Editors Z. Rappoport, I. Marek, New York, John Wiley and Sons, pages 1-45 (2004).

149. P. Kommana, N. Satish Kumar, J. J. Vittal, E. G. Jayasree, E.D. Jemmis, K. C. Kumara Swamy, Does a Sterically Bulky Group Occupy the Equatorial Site in Trigonal Bipyramidal Phosphorus?, Organic Letters, 6, 145-148 (2004).

150. A. K. Phukan, R. P. Kalagi, S. R. Gadre, E. D. Jemmis, Structure, Reactivity and Aromaticity of Acenes and Their BN Analogs : A Density Functional and Electrostatic Investigation, Inorganic Chemistry, 43(19); 5824-5832 (2004).

151. V. V. Burlakov, P.Arndt, W. Baumann, A.Spannenberg, U. Rosenthal,P.Parameswaran, E.D. Jemmis, Reduction of 1,4-Dichloro-but-2-yne by Titanocene to the 1,2,3-Butatriene. Formation of the 1-Titana-cyclo-pent-3-yne and the 2,5-Dititana-bicyclo[2.2.0]hex-1(4)-ene, Chemical Communications, 2074-2075 (2004).

152. E. D. Jemmis, P. Parameswaran, A. K. Phukan, Binuclear Organometallic Compounds Containing Planar Tetra Coordinated Carbon Atoms: Theoretical Study on Geometrical and Bonding Patterns, Molecular Physics, 103, 897-903 (2005).

153. Y. Xie, H. F. Schaefer III and E. D. Jemmis, Characteristics of Novel Sandwiched Beryllium, Magnesium, and Calcium Dimers: C5H5BeBeC5H5, C5H5MgMgC5H5, and C5H5CaCaC5H5, Chemical Physics Letters, 402, 414-421 (2005)

154. Eluvathingal D. Jemmis, Biswarup Pathak, and Anakuthil Anoop , Condensed Two- and Three-Dimensional Aromatic Systems: A Theoretical Study on the Relative Stabilities of Isomers of CB 19 H 16 + , B 20 H 15 Cl, and B 20 H 14 Cl 2 and Comparison to B 12 H 10 Cl 2 2- , C 6 H 4 Cl 2 , C 10 H 7 Cl, and C 10 H 6 Cl 2 , Inorganic Chemistry, 44(20); 7184-7188 (2005).

155. Dasari L. V. K. Prasad, Musiri M. Balakrishnarajan, and Eluvathingal D. Jemmis, The electronic structure and bonding of beta-rhombohedral boron using cluster fragment approach, Phys. Rev. B. 72, 195102 (2005)

156. Eluvathingal D. Jemmis, Building Relationships Between Polyhedral Boranes and Elemental Boron, Chemtracts-Inorganic Chemistry, 18,620-628(2005)

157. E. D. Jemmis, E. G. Jayasree and P. Parameswaran, Hypercarbons in Polyhedral Structures,(invited), Chemical Society Reviews, 35, 157-168 (2006).

158. E. D. Jemmis and D. L. V. K. Prasad, Icosahedral B12, Macropolyhedral Boranes, beta-rhombohedral Boron and Boron Rich Solids, Journal of Solid State Chemistry, 179, 2768-2774 (2006) .

159. Eluvathingal D. Jemmis, Biswarup Pathak, R. Bruce King, and Henry F. Schafer III, Bond Length and Bond Multiplicity: s Bond Prevents Short p Bonds, Chem. Comm., 2164-2166 (2006).

160. Dasari L.V.K. Prasad and Eluvathingal D. Jemmis, Boron and MgB2 analogs of fullerenes and carbon nanotubes: A Density Functional Theory Study, Journal of Molecular Structure: THEOCHEM, 771, 111-115 (2006).

161. Biswarup Pathak, Shanthi Pandian, Narayan Hosmane, Eluvathingal D. Jemmis, Reversal of Stability on Metalation of Pentagonal-Bipyramidal (1-MB 6 H 7 2- , 1-M-2-CB 5 H 7 1- and 1-M-2,4-C 2 B 4 H 7 ) and Icosahedral (1-MB 11 H 12 2- , 1-M-2-CB 10 H 12 1- and 1-M-2,4-C 2 B 9 H 12 ) Boranes (M=Al, Ga, In and Tl) : Energetics of Condensation and Relationship to Binuclear Metallocenes, J. Am. Chem. Soc., 128, 10915-10922 (2006).

162. Jorly Joseph, Dhevalapally B. Ramachary and Eluvathingal D. Jemmis, Electrostatic repulsion as an additional selectivity factor in asymmetric proline catalysis, Org. Biomol. Chem., 4, 2685-2689 (2006).

163. Dandamudi Usha Rani, Dasari L. V. K. Prasad, John F. Nixon, Eluvathingal D. Jemmis, Electronic Structure and Bonding Studies on Triple-Decker Sandwich Complexes with a P 6 Middle Ring, J. Comp. Chem., 28, 310-319 (2007).

164. Eluvathingal D. Jemmis and Pattiyil Parameswaran, Structure and Bonding in Cyclic Isomers of BAl2Hnm (n = 3 – 6, m = -2 – +1): Preference for Planar Tetra-coordination, Pyramidal Tri-coordination and Divalency, Chemistry A European Journal, 13, 2622-2631 (2007).

165. Jorly Joseph and Eluvathingal D. Jemmis, Red- Blue- or No-Shift in Hydrogen Bonds: A Unified Explanation, J. Am. Chem. Soc., 129, 4620-4632 (2007).

166. Marc A. Bach, Pattiyil Parameswaran, Eluvathingal D. Jemmis and Uwe Rosenthal, Bimetallic Complexes of Metallacyclopentynes: Cis vs Trans and Planarity vs Non-planarity , Organometallics, 26, 2149-2156 (2007).

167. C. M. Nagaraja, Pattiyil Parameswaran, Eluvathingal D. Jemmis, and Balaji R. Jagirdar, Heterolytic Activation of the H-X (X = H, Si, B, and C) Bonds: An Experimental and Theoretical Investigation , J. Am. Chem. Soc. , 129, 5587-5596 (2007).

168. Torsten Beweries, Vladimir V. Burlakov, Marc A. Bach, Stephan Peitz, Perdita Arndt, Wolfgang Baumann, Anke Spannenberg, Uwe Rosenthal, Biswarup Pathak, and Eluvathingal D. Jemmis, Tandem SiH/CH Activation for Decamethylhafnocene and Bis(trimethylsilyl)acetylene , Angewandte Chemie, 46, 6907-6910 (2007).

169. Susmita De, Pattiyil Parameswaran and Eluvathingal D. Jemmis, A Theoretical Study on the Mechanism of Boron Metathesis, Inorg. Chem.,46,6091-6098 (2007).

170. M. Roy, B. Pathak, A. K. Patra, E. D. Jemmis, M. Nethaji and A. R. Chakravarty, New Insights into the Visible-Light-Induced DNA Cleavage Activity of Dipyridoquinoxaline Complexes of Bivalent 3d-Metal Ions, Inorg. Chem., 46, 11122-11132 (2007).

171. A. Kumar, S. De, A. G. Samuelson, E. D. Jemmis ,Differing Reactivities of Zirconium and Titanium Alkoxides with Phenyl Isocyanate: an Experimental and Computational Study , Organometallics, 27, 955-960, (2008).

172. Shameema, O., Pathak, B., E. D. Jemmis, A Theoretical study of the reaction of B20H16 with MeCN: closo:closo to closo:nido conversion, Inorganic Chemistry, 47, 4375-4382 (2008).

173. D. L. V. K. Prasad, E. D. Jemmis, Stuffing Improves the Stability of Fullerene-like Boron Clusters, Physical Review Letters, 100, 165504-165507 (2008).

174. Dandamudi Usharani, P. Srivani, G. N. Sastry, E. D. Jemmis, A pH Dependence of 3-10-Helix versus Turn in M-loop Region of PDE4: Observations on PDB Entries and an Electronic Structure Study, Journal of Chemical Theory and Computation, 4, 974-984 (2008).

175. O. Shameema, E. D. Jemmis, Orbital Compatibility in the Condensation of Polyhedral Boranes, Angewandte Chemie, 47, 5561-5564 (2008).

176. Sumana Ghosh, Dandamudi Usharani, Susmita De, Eluvathingal D. Jemmis, Santanu Bhattacharya, Photophysical and Duplex-DNA-Binding Properties of Distamycin Dimers Based on 4,4′ and 2,2′-Dialkoxyazobenzenes as the Core, Chemistry – An Asian Journal, 3, 1949-1961 (2008).

177. P. Srivani, Dandamudi Usharani, Eluvathingal D. Jemmis, and G. Narahari Sastry, Subtype Selectivity in Phosphodiesterase 4 (PDE4): A Bottleneck in Rational Drug Design, Current Pharmaceutical Design, 14, 3854-3872 (2008).

178. Dibyendu Mallick, Pattiyil Parameswaran, and Eluvathingal D. Jemmis, Structure and Bonding in Cyclic Isomers of B 2 AlH n m (n = 3-6, m = -2 to +1): A Comparative Study with B 3 H n m , BAl 2 H n m and Al 3 H n m , J. Phys. Chem. A, 112, 13080-13087 (2008).

179. Sumana Ghosh, Dandamudi Usharani, Ananya Paul, Susmita De, Eluvathingal D. Jemmis, Santanu Bhattacharya, Design, Synthesis, and DNA Binding Properties of Photoisomerizable Azobenzene-Distamycin Conjugates: An Experiment al and Computational Study, Bioconjugate Chemistry, 19, 2332-2345 (2008).

180. Eluvathingal D. Jemmis, D. L. V. K. Prasad, Unknowns in the chemistry of boron, Current Science, 95, 1277-1283 (2008).

181. Dandamudi Usha Rani, Anne Poduska, John F. Nixon, and Eluvathingal D. Jemmis, ‘Electronic Structure and Bonding in Neutral and Dianionic Boradiphospholes: R’BC2P2R2 (R= H, tBu, R’=H, Ph) Chem. Eur. J., 15, 8429-8442 (2009).

182. Glesni A. Pierce, Dragoslav Vidovic, Deborah L. Kays, Natalie D. Coombs, Amber L. Thompson,Eluvathingal D. Jemmis, Susmita De, and Simon Aldridge,Half-sandwich group 8 borylene complexes: synthetic and structural studies, and oxygen atom abstraction chemistry, Organometallics , 28, 2947-2960 (2009).

183. Susmita De, Glesni A. Pierce, Dragoslav Vidovic, Deborah L. Kays, Natalie D. Coombs, Eluvathingal D. Jemmis, and Simon Aldridge, Reactivity of cationic terminal borylene complexes: Novel mechanisms for insertion and metathesis chemistry involving strongly Lewis acidic ligand systems, Organometallics, 28, 2961-2975 (2009).

184. Jorly Joseph, T. V. RajanBabu, Eluvathingal D. Jemmis, A Theoretical Investigation of the Mechanism of Hydrovinylation Reaction, Organometallics 28, 3552-3566 (2009).

185. S. Sahoo, K. Hari Krishna Reddy, R. S. Dhayal, S. M. Mobin, V. Ramkumar, E. D. Jemmis and Sundargopal Ghosh, Chlorinated hypoelectronic dimetallaborane clusters: Synthesis, characterization, and electronic structures of (?-C5Me 5W)2B5HnCIm, (n = 7, m = 2 and n = 8, m = 1), Inorganic Chemistry, 48, 6509-6516 (2009).

186. O. Shameema, E. D. Jemmis, Relative stability of closo-closo, closo-nido, and nido-nido macropolyhedral boranes: The role of orbital compatibility, Chemistry – An Asian Journal, 4, 1346 – 1353 (2009).

187. O. Shameema, E. D. Jemmis, Closo versus hypercloso metallaboranes: A DFT study, Inorganic Chemistry, 48, 7818-7827 (2009).

188. A. Basak, S. Das, D. Mallick, E. D. Jemmis, Which one is preferred: Myers-Saito cyclization of ene-yne-allene or Garratt-Braverman cyclization of conjugated bisallenic sulfone? A theoretical and experimental study, J. Am. Chem. Soc., 131, 15695-15704 (2009).

189. E. D. Jemmis, Subhendu Roy, V. V. Burlakov, H. Jiao, M. Klahn, S. Hansen, and U. Rosenthal, Are Metallocene-Acetylene (M=Ti, Zr, Hf) Complexes Aromatic Metallacyclopropenes?, Organometallics, 29, 76-81 (2010).

190. Rajendra S. Dhayal, Satyanarayan Sahoo, K. Hari Krishna Reddy, Shaikh M. Mobinn, Eluvathingal D. Jemmis and Sundargopal Ghoshsh, Vertex-Fused Metallaborane Clusters: Synthesis, Characterization and Electronic Structure of [(C5Me5Mo)3MoB9H18], Inorganic Chemistry,49,900-904(2010).

191. Dasari L. V. K. Prasad and Eluvathingal D. Jemmis, Stuffed fullerenelike boron carbide nanoclusters, Appl. Phys. Lett. 96, 023108-023110 (2010).

192. David A. Addy, Glesni A. Pierce, Dragoslav Vidovic, Dibyendu Mallick, Eluvathingal D. Jemmis, Jose M. Goicoechea and Simon Aldridge, Generation of Cationic Two-Coordinate Group-13 Ligand Systems by Spontaneous Halide Ejection: Remarkably Nucleophile-Resistant (Dimethylamino)borylene ComplexesJ. Am. Chem. Soc., 132 , 4586-4588 (2010).