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The Cooperative School for Pregnant School Girls is a program providing continuing education, health and social services, under the administration of the Durham City Schools system. This report outlines the problem and the needs indicated by research; the organization of community support, the steps in developing and conducting the Pilot Project; data about applicants for the project in 1967-68; the objectives and program outlined in the grant proposal, and the establishment of the Cooperative School in the fall of 1968. Funding came from state aid and from Duke University Child Guidance Clinic. A local church donated the necessary space for weekday use. Criteria for admission was established and 17 girls were admitted. Academic classes were held in the morning with credit given toward graduation. Afternoons were spent on health, social, and enrichment programs. The number of referrals and applications, as well as school and community support confirmed the need for such a program and its successful implementation. The research reported herein was funded under Title III of the Elementary and Secondary Education Act. (KJ)

Sigmund Koch has suggested that psychology is not and cannot be a coherent science in terms of the philosophy and methods of the physical sciences and that the term science cannot be properly applied to psychology, esthetics, creativity, or the domains of the humanities. Starting from this premise, the present author asks whether the research methods of science are not really transferrable to the study of living persons and interpersonal relationships? Or, is another kind of research method needed to study the infinite variety and complexity of human experience. The case study method is suggested. This method broadens professional competence, has contributed to the professional literature, and can be undertaken without elaborate research programs. Examples of the latter are noted. A pilot study using the case study approach to investigate the psycho-social aspects of the pregnancy experiences of adolescents, and attempts at and subsequent success in obtaining funding for a full scale project are described. This study and several others noted combine service and research programs in psychiatric social work. They promise to be fruitful. (CK)

An optimized geometry of tri-tert-butylphosphine is determined within the framework of the CNDO/2 approximation: d (C-C) = 1.548 A (fixed), d (C-H) = 1.111 A (fixed), d (P-C) = 1.846 A, ∠CCC = 112.1°, ∠CCH = 113.1°, ∠CPC = 108.2°. The ∠CPC value is similar to the empirical data (109°) deduced by Schmutzler from NMR measurements. Moreover, the three (t-C 4 H 9 ) groups (which are in the Calder form) are involved in a molecular gearing defined by a 36 o twist angle around the (P-C) bonds.

On explicite numeriquement les principaux facteurs magne- tooptiques (tout particulierement les modifications de caractere ionique et de polarisabilite magnetique) qui interviennent lors de l’attachement d’un atome d'oxygene a une molecule du type P(XYZ). On atteint ainsi, pour la premiere fois, la rotation magnetique vraie, ρ(P.O), de la liaison (P.O) d’un edifice OP(XYZ) (X, Y, Z = R, SR, Cl, OR, F) laquelle varie de 0 a 90 μr. quand l’indice π — au sens de Wagner — croit de 0 a 1,911. La prise en compte des composes fluores impose en outre que la contribution magnetooptique de la paire electronique libre portee par un atome PIII ne demeure pas constante quand varie l’environnement de ce dernier. La liaison covalente (P—F) conserve enfin, en tous cas, un module pratiquement constant eL voisin de zero, ce qui incite a conclure au caractere σ pur d’une telle liaison.

La mesure des moments electriques d’une quarantaine de molecules des types P(XYZ) et OP(XYZ) (X, Y, Z = R, SR, Cl, OR) permet d’atteindre une grandeurΔμ = μ[ΟΡ(ΧΥΖ)] —μ[Ρ(ΧΥΖ)]dont la variation rend compte essentiellement des modifications de l’etat electronique (σ + π) de la liaison (P.O) lorsque varient les coordinats lies par ailleurs au phosphore. L’amplitude de cette variation est de l’ordre de 2D. Le sens de l’evolution de Δμ ne peut s’interpreter qu’en retenant la conception de Wagner (1 ) quant a la maniere dont la liaison (P.O) peut acquerir un certain caractere de multiplicite. Ce resultat, joint a ceux obtenus parallelement dans les domaines de l’effet Faraday (2 a 4 ) et du diamagnetisme (5 ) moleculaires, semble suffisamment significatif pour constituer, dans l’etat actuel des choses, un support incontestable a la theorie de cet auteur.

The trend of some physico-chemical properties in the saturated alcohols series is investigated within the framework of the CNDO/2 approximation on the basis of an intentional choice of a standard rigid geometrical pattern. It thus enables us to explain the origin of the inversion of the acidity scale which is observed experimentally in solution or in the gas phase. Jano's formalism appears to be highly suitable for the calculation of solvation energies.

Resume On examine — notamment au moyen des proprietes additives de la matiere — le comportement physicochimique de alcoylfluorophosphoranes PR n F( 5-n ). Celui-ci, compte tenu de ce que l'on sait par ailleurs des composes, moleculaires du phosphore tri- et tetra-coordonne, ne peut s'interpreter que si l'electronegativitede l'atome de phosphore P V neutre est sensiblement superieureacelle de l'atome P III (χ 0 PIII ⋍ 2,10): la valeur χ 0 PV ⋍ 2,8 est proposeee. On montreegalement que la liaison P F issue d'un atome de phosphore pentacoordonneest susceptible de presenter un caractere π non ambigu dans les composes PF 5 et PRF 4 .

The semi-empirical CNDO and INDO methods are applied to a theoretical conformational analysis of biaziridyl. In agreement with infrared and electron diffraction data, this molecule is found to be in its s-trans conformation. The origins of such a conformation are discussed in terms of Fourier developments. The prediction that some alterations of angles occur when going from the s-trans to the s-cis form, arises from these calculations.

The electronic structure of SCIF 5 is computed within the framework of the CNDO/2 approximation on the basis of Kewley's microwave geometrical data and is compared with our previous results on SF 6 . The charge distribution and the value of the dipole moment are discussed as a function of the F-S-F ax angle and an inversion of the net charge on Cl is observed when passing through the 95° value for (F-S-F ax ) angle.

A theoretical conformational analysis (within the CNDO/2 approximation) of CH3O-PF2 revealed the existence of two gauche equivalent preferred conformations, in disagreement with Schwendeman's interpretation of microwave spectra. The barrier to internal rotation for the methyl group is found to be low (1.2 kcal/mole). The use of Pople's energy partitioning shows that the variations of total energy as a function of the rotations around the P-O and C-O bonds are mainly determined by the spatial ΣE(P…H) interaction term between the phosphorus atom and the three hydrogens of the methyl group.

Resume L'etude, au moyen de la methode CNDO/2, de la molecule H 3 P·BH 3 et de ses derives perfluores permet de proposer pour chacun de cesedifices une geometrie moleculaire optimisee. Celle-ci s'avere, dans le cas de la molecule F 3 P·BH 3 , en parfait accord avec les donnees de la spectroscopie micro-ondes, et cet accord se poursuit au niveau de tous les parametres conformationnels etelectroniques caracteristiques de cette molecule. Par contre, dans le cas de H 3 P·BH 3 , on montre que la geometrie theorique optimisee differe notablement des modeles construits anterieurement sur des bases essentiellement intuitives. Toutes les moleculesetudiees se caracterisent par une conformation privilegiee decalee . L'amplitude des barrieresala rotation est discutee el leur origine interpretee. Les transferts de charge accompagnant l'edification du complexe sont calcules et s'averent en bon accord avec ceux provenant de travaux non empiriques recents. L'existence chimique des quatre molecules de la serie est enfin discutee.

A large set of physicochemical properties of alkylamines is investigated within the framework of the CNDO/2 approximation on the basis of a choice of a standard rigid geometrical model. The preferred theoretical conformations obtained in this way are identical to the experimental ones, when known. The trend of the barriers to rotation and inversion in methylamines is perfectly reproduced as well as the variation of dipole moments and ionization potentials. Finally, the degrees of acidity and basicity in the gas phase (as provided by ion cyclotron resonance) are also reproduced. It is clearly shown that, under such conditions, the CNDO/2 method should be used in concert with the classical physical methods by any chemist, even an experimentalist, who wishes to gain an understanding of the behaviour of electronically localized systems.

Resume Le formalisme semi-empirique de la methode CNDO/2 est appliqueal'analyse de la structureelectronique et de la conformation de la molecule S2F10. Sur le plan conformationnel, un excellent accord est obtenu entre theorie et experience, le calcul permettant en outre de degager les facteurselectroniques qui definissent la courbe de potentiel caracterisant le systeme lors de la mise en rotation mutuelle des deux motifs SF5 autour de la liaison (S-S). Par ailleurs sont discutes le probleme de la nonequivalenceelectronique des atomes de fluor axiaux etequatoriaux, la signification des indices de Wiberg, la force des liaisons chimiques et la longueur ≪anormale≫ de la liaison (S-S) dans S2F10.

The conformational analysis and the electronic structure of the trimethyl-phosphine-borane Lewis adduct are investigated within the framework of the CNDO/2 approximation. The methyl groups take up the Lem conformation and and the whole molecule is staggered with respect to the P · B bond. The rotational barriers around the P · B and P-C bonds are respectively 4.09 and 3.83 kcal mole−1. Their origin is due to the spatial energy interaction terms between the phosphorus atom and the 12 hydrogens. The computed value of the dipole moment (6.0 D) matches the two available experimental data.

The conformational analysis of F2POPF2 is investigated within the framework of the CNDO/2 approximation using the geometrical electron diffraction sets B and C proposed by Arnold and Rankin. The first one appears to be preferential on the basis of the criterion of minimal energy. The theoretical (20, 120) preferred conformation is very close to the experimental one (56.2, 122.0) because of the flexibility of the molecule, as demonstrated by the smooth trend of the energy map around the potential well. Such a conformation has no symmetry elements as a result of a medley of numerous energy terms. Therefore, F2POPF2 appears to be one of the scarce molecules in nature which has by itself such a lack of symmetry.

La methode SCF-LCAO-MO dans l'approximation CNDO/2 est utilisee pour l'etude de l'analyse conformationnelle de la dimethylsulfone (CH3)2SO2. On montre ainsi que, parmi les determinations geometriques les plus recentes, celle obtenue par Jacob et Lide en 1971 au moyen de la spectroscopie de micro-ondes semble devoir etre retenue. La carte de potentiel, decrivant la rotation simultanee des deux groupements methyle autour des liaisons (S-C), est tracee: elle montre que la molecule (CH3)2SO2 appartient bien au groupe de symetrie C2v, non seulement au niveau des atomes lourds (C, S, O) mais aussi a celui des hydrogenes. La barriere a la rotation d'un CH3 est ainsi trouvee egale a 3,65 kcal/mole (experimentalement: 3,4 kcal/mole [10]). Un decoupage bicentrique de l'energie totale montre enfin que 70% des variations de cette grandeur sont dus a la seule somme, Σ E(S-H), des interactions dans l'espace entre l'atome de soufre et les six atomes d'hydrogene. Ce resultat eclaire d'un jour nouveau le concept qualitatif d'hyperconjugaison.

The electronic structure of N 4 S 4 and N 4 S 4 F 4 molecules is investigated within the framework of the CNDO/2 approximation. A pure alternated system is obtained for the fluorinated compound with respect to the Wiberg bond populations. On the other hand, the N 4 S 4 molecule appears to be composed of three highly delocalized “islands”, as defined by Dewar in the case of cyclophosphazenes. The “tub form” of N 4 S 4 is due to a strong spatial interaction between non-bonded sulphur atoms and, for this reason, the N 4 S 4 molecule may be called the “inorganic cyclooctatetraene”.

The magneto-optical behaviour of some strobilic compounds in solution in different solvents is described. The strobilic character vanishes when the electric polarisabilities of solute and solvent are equal, and in such cases the magnetic properties of the strobilic compounds are independent of concentration. An “equi-polarisable solvents” technique is proposed.

A magneto-optical investigation of dialkyl derivatives of zinc, cadmium and mercury (in the liquid state, at 20 °C) leads to the conclusion that there is a lack of linearity in such molecules, the largest deviations being observed in the case of the mercury compounds. This shows that the inconsistency of the alteration of any chemical or physical property which is classically observed in the group IIB , is in fact due to mercury and not to cadmium as was often assumed in the literature.