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0033462625
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and references therein The X-ray crystal structure of 4 suggests that the compound does not have a true selone moiety, but that it exists in a zwitterionic form in which the selenium carries a negative charge and one of the nitrogen atoms in the five-membered ring is protonated. The average C-Se bond length of 1.848 Å is shorter than a C-Se single bond (1.94 Å), but significantly longer than a C-Se double bond (1.74 Å). This indicates that the C-Se bond in compound 4 has only partial double bond character.
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Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
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Fox, D.J.44
Keith, T.45
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Lelj, F.8
Lippolis, V.9
Verani, G.10
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