Reference

Structural properties of some monosubstituted cyclobutanes, C4H7X, determined by ab initio calculation

Structural properties of some monosubstituted cyclobutanes, C4H7X, determined by ab initio calculation. II. X = OH, NH2 and CH3. Jonvik, Torgeir; Boggs, James E. (Dep. Chem., Univ.There are some reagents with their cas registry numbers 598-61-8 and 2516-34-9 are used in this study. Texas, Austin, TX 78712, USA). THEOCHEM, 14(1-2), 201-11 (English) 1983. CODEN: THEODJ. ISSN: 0166-1280. DOCUMENT TYPE: Journal CA Section: 22 (Physical Organic Chemistry) Complete equil. geometries have been detd. for all stable conformations of cyclobutanol, cyclobutylamine, and Me cyclobutane by ab initio Hartree-Fock gradient calcn. with a 4-21 basis augmented by d functions on O and N. Conformations differ in having the substituent equatorial (eq) or axial (ax) on the puckered ring and by gauche (g) or anti (a) orientation of the substituent hydrogen with respect to the ring hydrogen. .