Quantum chemical study of sulfonium ylides: Structure, charge distribution and dipole moments
1980 ◽
Vol 45
(4)
◽
pp. 1236-1250
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Keyword(s):
The geometry, charge distribution and dipole moments of parent sulfonium ylide - dimethylsulfoniomethylide (I) - and a series of stabilized sulfonium ylides, including 2-dimethylsulfuranylidene-1,3-cyclopentanedione (VI) prepared in this study, was investigated using the CNDO/2, PCILO and ab initio methods. Values of dipole moments, calculated by quantum chemical methods (CNDO/2 with sp and spd bases, ab initio with the STO-3G basis) as well as by the method of empirical bond moments, are compared with the experimental values determined in dioxane or benzene. Dipole moments of several related ammonium ylides were also studied.
Keyword(s):
2004 ◽
Vol 683
(1-3)
◽
pp. 195-206
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Keyword(s):
1980 ◽
Vol 45
(1)
◽
pp. 92-103
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Keyword(s):
2002 ◽
Vol 39
(6)
◽
pp. 647-654
◽
Keyword(s):
Dipole moments and quantum chemical study of the structure of furan-containing gem-bromonitroethenes
2015 ◽
Vol 51
(9)
◽
pp. 1282-1285
1986 ◽
Vol 84
(7)
◽
pp. 3694-3708
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Keyword(s):
2007 ◽
Vol 77
(10)
◽
pp. 1780-1786
Keyword(s):
1998 ◽
Vol 290
(4-6)
◽
pp. 391-398
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2009 ◽
Vol 50
(1)
◽
pp. 27-33
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Keyword(s):
1986 ◽
Vol 90
(24)
◽
pp. 6420-6424
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Keyword(s):