Fine structures of 8-G-1-(p-YC6H4C identical with CSe)C10H6 (G = H, Cl, and Br) in crystals and solutions: ethynyl influence and Y- and G-dependences.

Fine structures of 8-G-1-(p-YC(6)H(4)C identical with CSe)C(10)H(6) [1 (G = H) and 2 (G = Cl): Y = H (a), OMe (b), Me (c), F (d), Cl (e), CN (f), and NO(2) (g)] are determined by the X-ray analysis. Structures of 1, 2, and 3 (G = Br) are called A if each Se-C(sp) bond is perpendicular to the naphthyl plane, whereas they are B when the bond is placed on the plane. Structures are observed as A for 1a-c bearing Y of nonacceptors, whereas they are B for 1e-g with Y of strong acceptors.

Evidence for effective p(Z)-pi(Ar) conjugations (Z = S, Se, and Te, as well as Z = O) in 9-(arylchalcogenyl)triptycenes: experimental and theoretical investigations.

The p(Z)-pi(Ar) conjugations must operate fully in the ground states of 9-(arylchalcogenyl)triptycenes (p-YC(6)H(4)ZTpc:1 (Z = O), 2 (Z = S), 3 (Z = Se), and 4 (Z = Te)), where the p-YC(6)H(4) group is placed in the bisected area between two phenyl planes of the triptycyl group with the parallel orientation. The ground-state geometries, which we call (A: pl), are confirmed by X-ray analysis. However, the conjugations never operate in the transition states between (A: pl) and/or the topomeric structures (A': pl'), where the Z-C(Tpc) bond is perpendicular to the plane.

Fear of hypoglycemia in parents of young children with type 1 diabetes mellitus.

The current study examined fear of hypoglycemia in 81 mothers and 64 fathers of young children with type 1 diabetes (T1DM) using the Hypoglycemia Fear Survey-Parents of Young Children (HFS-P-YC possible range = 26-130). Mothers and fathers completed the HFS-P-YC at enrollment and mothers completed it 2 weeks later. Families recorded daily blood glucose on a standardized meter for 2 weeks.

77Se NMR chemical shifts of 9-(arylselanyl)triptycenes: new standard for planar structures of ArSeR and applications to determine the structures in solutions.

A set of new delta(Se) parameters is proposed as a standard for the planar (pl) orientational effect of p-YC(6)H(4) (Ar) in ArSeR, employing 9-(arylselanyl)triptycenes (1: p-YC(6)H(4)SeTpc). The Se-C(R) bond in ArSeR is placed on the Ar plane in pl and it is perpendicular to the plane in pd. Large upfield shifts are observed for Y = NMe(2), OMe, and Me (-22 to -6 ppm) and large downfield shifts for Y = COOEt, CN, and NO(2) (19-37 ppm), relative to Y = H, with small upfield and moderate downfield shifts by Y of halogens (-1 ppm for Y = F and 4 ppm for Y = Cl and Br).

Proposal for sets of se NMR chemical shifts in planar and perpendicular orientations of aryl group and the applications.

The orientational effect of p-YC(6)H(4) (Ar) on delta(Se) is elucidated for ArSeR, based on experimental and theoretical investigations. Sets of delta(Se) are proposed for pl and pd employing 9-(arylselanyl)anthracenes (1) and 1-(arylselanyl)anthraquinones (2), respectively, where Se-C(R) in ArSeR is on the Ar plane in pl and perpendicular to the plane in pd. Absolute magnetic shielding tensors of Se (sigma(Se)) are calculated for ArSeR (R = H, Me, and Ph), assuming pl and pd, with the DFT-GIAO method.

Structure of 1-(arylselanyl)naphthalenes. 2. G dependence in 8-G-1-(p-YC(6)H(4)Se)C(10)H(6).

The structures of 8-G-1-(p-YC(6)H(4)Se)C(10)H(6) (1 (G = Cl) and 2 (G = Br): Y = H (a), OMe (b), Me (c), Cl (d), Br (e), COOEt (f), and NO(2) (g)) were investigated by X-ray crystallographic analysis, NMR spectroscopy, and ab initio MO calculations. The structures of all members in 1 and 2 are concluded to be type B, which is in striking contrast to the type A structure for 4d-g (4 (g(n)), where G = H). The Se-C(i) bond of the p-YC(6)H(4)Se group in 8-G-1-(p-YC(6)H(4)Se)C(10)H(6) is almost perpendicular to the naphthyl plane in type A, and it is located on the plane in type B.

Novel Substituent Effect on (77)Se NMR Chemical Shifts Caused by 4c-6e versus 2c-4e and 3c-4e in Naphthalene Peri Positions: Spectroscopic and Theoretical Study.

delta((8)Se) values for 1-[8-(p-YC(6)H(4)Se)C(10)H(6)]SeSe[C(10)H(6)(SeC(6)H(4)Y-p)-8']-1' (1: Y = H, OMe, Me, Cl, Br, COOEt, and NO(2)) showed a good correlation with those of 1-(MeSe)-8-(p-YC(6)H(4)Se)C(10)H(6) (2). While the delta((1)Se) values correlated well with delta((8)Se) in 2 with a positive proportionality constant of 0.252 (regular correlation), a similar correlation for 1 gave a negative proportionality constant of -0.