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STUDY ON THE CONFORMATIONS OF p-(NITRO)METHOXYCALIX[4]ARENE AND p-(tert-BUTYL)METHOXYCALIX[4]ARENE USING HIGH LEVEL AB INITIO METHOD | Sudrajat | Indonesian Journal of Chemistry 21573 40659 1 PB

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Figure 1. Molecular structures of p-(tert-butyl)methoxycalix[4]arene (a) and p-(nitro)methoxycalix[4]arene (b)
Table 1. Ab initio a relative energy (kcal/mol)of p-(nitro)methoxycalix[4]arenebc
Figure 2. Conformations of p-(nitro)methoxycalix[4]arene 1: (a) cone, (b) partial cone (methoxy out), (c) partial cone (methoxy in), (d) 1,3-alternate and (e) 1,2-alternate
Figure 3. Conformations of p-(tert-butyl)methoxycalix[4]arene: (a) cone, (b) partial cone (methoxy out), (c) partial cone (methoxy in), (d) 1,3-alternate and (e) 1,2-alternate

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