caa a22 4500 467920516 CHVBK 20180406152916.0 cr unu---uuuuu 170328e20061101xx s 000 0 eng 10.1007/s00706-006-0539-4 doi (NATIONALLICENCE)springer-10.1007/s00706-006-0539-4 Novel Triplet Ground State Silylenes: H-N [Elektronische Daten] C = Si, CN-N = C = Si, and Me O-N = C = Si at DFT Levels [Mohammed Z. Kassaee, Seyed M. Musavi, Foad Buazar, Mehdi Ghambarian] Summary.: DFT calculations predict the existence of three new triplet ground state silylenes: [(imino)-methylene]silylene, [(cyanoimino)methylene]silylene, and [(methoxyimino)methylene]silylene, with CNSiX formula (X = H, CN, and OMe, respectively). Discrepancies are found between DFT and some ab initio results. Springer-Verlag, 2006 Keywords. Triplet silylene nationallicence Ab initio nationallicence DFT nationallicence push-pull effect nationallicence Kassaee Mohammed Z. Department of Chemistry, University of Tarbiat Modarres, Tehran, Iran aut Musavi Seyed M. Department of Chemistry, University of Tarbiat Modarres, Tehran, Iran aut Buazar Foad Department of Chemistry, University of Tarbiat Modarres, Tehran, Iran aut Ghambarian Mehdi Department of Chemistry, University of Tarbiat Modarres, Tehran, Iran aut Monatshefte für Chemie / Chemical Monthly Springer-Verlag 137/11(2006-11-01), 1385-1400 0026-9247 137:11<1385 2006 137 706 https://doi.org/10.1007/s00706-006-0539-4 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s00706-006-0539-4 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Kassaee Mohammed Z. Department of Chemistry, University of Tarbiat Modarres, Tehran, Iran aut NATIONALLICENCE 700 1- Musavi Seyed M. Department of Chemistry, University of Tarbiat Modarres, Tehran, Iran aut NATIONALLICENCE 700 1- Buazar Foad Department of Chemistry, University of Tarbiat Modarres, Tehran, Iran aut NATIONALLICENCE 700 1- Ghambarian Mehdi Department of Chemistry, University of Tarbiat Modarres, Tehran, Iran aut NATIONALLICENCE 773 0- Monatshefte für Chemie / Chemical Monthly Springer-Verlag 137/11(2006-11-01), 1385-1400 0026-9247 137:11<1385 2006 137 706 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer