bluuebunny/crossref_metadata_2025_split huggingface dataset:
1, 1‐dichloroalkylphosphonates: Convenient starting materials for low‐coordinated trivalent phosphorus compounds
Authors: Grandin Catherine , About‐Jaudet Elie , Collignon Noël , Denis Jean‐Marc , Savignac Philippe 
Published: January 2005

AbstractDiisopropyl 1,1‐dichloroalkylphosphonates bearing various groups (alkyl, aryl, allyl, benzyl, phenylthiolate, trimethylsilyl) in the α‐position were reduced to the corresponding primary 1,1‐dichlorophosphines by the LiAlH4‐AlCl3 system in diethyl ether. Subsequent dehydrochlorination with tertiary amines in the presence of trapping dipolar compounds (ethyl diazoacetate or n‐hexylazide) led to the expected 1,2,4‐diazaphospholes or 3H‐1,2,3,4‐triazaphospholes.
4‐Halogeno‐3‐oxides and sulfides of the 3,4‐dihydro‐2h‐1,2,3‐diazaphosphole system
Authors: Baccolini Graziano , Dalpozzo Renato , Todesco Paolo E. 
Published: January 2005

Abstract4‐Bromodiazaphosphole‐3‐oxides or sulfides can be obtained by reaction of the corresponding unsubstituted derivative with appropriate reagents. PTAB was demonstrated to be very regio‐ and stereoselective, allowing bromination exclusively at the 4‐position of the ring with prevalent or exclusive formation of one of the two possible isomers. However, when regioselectivity is not required, cheaper and more available bromine or NBS can be used conveniently. 4‐Chlorodiazaphosphole‐3‐oxides can be obtained by reaction of the corresponding unsubstituted derivative with NCS. 4‐Bromodiazaphosphole‐3‐oxides undergo stereoselective methanolysis as well as parent unsubstituted oxides.
1, 3‐azaphospholo[5, 1‐b]thiazolines and benzothiazoles
Authors: Bansal Raj K. , Mahnot Ruchi , Sharma Dinesh C. , Karaghiosoff Konstantin , Schmidpeter Alfred 
Published: January 2005

AbstractThe title compounds 3 and 7 are novel heterocyclic systems incorporating two‐coordinate phosphorus. They are obtained in reasonable to good yields from the condensation of suitable 2‐ethyl‐3‐alkylthiazolinium and ‐benzothiazolium bromides 2 and 6 with phosphorus trichloride in the presence of triethylamine in an aprotic solvent. Intermediate dichlorophosphino‐substituted N‐ylides can be observed or isolated in some cases. From a 2‐methyl‐3‐alkylthiazolinium bromide (2a), a 1‐(dichlorophosphino) substituted 1, 3‐azaphospholo[5,1‐b]thiazoline (4) was obtained.The chemical shift of the two‐coordinate phosphorus in 1,3‐azaphosphole derivatives clearly reflects the influence of the heterocyclic system annulated to its 1,5‐bond and of the substituents in its 2‐and 4‐positions.
The properties of thiobenzyl esters of the P(III) acids. Part I. The study of the reaction mechanism of 2‐benzylthio‐4,5‐benzo‐1,3,2‐dioxaphospholane with ketones and oxygen by CIDNP 31P
Authors: Drozdova Yana A. , Burilov Alexander R. , Pudovik Michael A. , Gainullin Rafinad M. , Il'Yasov Akhat V. 
Published: January 2005

Abstract2‐Benzylthio‐4,5‐benzo‐1,3,2‐dioxaphospholane reacts with oxygen to form the corresponding thiophosphonate, dithiophosphate and pyrophosphite. The reaction was found to be of a radical nature. The mechanism is suggested to involve an initial electron transfer with suitable subsequent transformations. The interaction of the title compound with various ketones in a pure oxygen atmosphere was studied by the CIDNP method.
A new synthesis of unsymmetrically substituted halophosphines
Authors: Omelańczuk Jan 
Published: January 2005

AbstractChiral, racemic alkylaryl‐, or diarylhalophosphines have been obtained in 50–70% yields by treatment of alkylaryl‐ or diaryl‐methylthiohalophosphonium triflates with triphenylphosphine in methylene chloride solution at room temperature or under reflux.
Aminomethylphosphines in template synthesis on Pt(II), Pd(II), and Hg(II)
Authors: Nikonov G. N. , Karasik A. A. , Malova E. V. , Enikeev K. M. 
Published: January 2005

AbstractReactions of 5‐p‐toluidinomethyl‐1,3‐ditolyl‐1,3,5‐diazaphosphorinane 1 with Pt(II), Pd(II), Hg(II) salts are reported. Complex formation was followed by template synthesis of novel bicyclic ligand and chelate complexes. Compounds 2, 3, 4 have been formed. The mercury complex 4 was also obtained in high yield by electrochemical oxidation of compound 1 at the Hg‐anode. Conformational features of new ligands are discussed on the basis of NMR data.
An efficient synthesis of phosphenimidous esters, ROPNAr
Authors: Romanenko Vadim D. , Reitel Grigorii V. , Chernega Alexander N. , Kirichenko Oleg V. , Ruban Alexander V. , Sanchez Michel , Wolf Robert , Mazières M. R. 
Published: January 2005

AbstractTrimethylsilyltrifluoromethane sulfonate is shown to be an efficient catalyst for the elimination of Me3SiCl from N‐trimethylsilyl‐N‐(2,4,6‐tri‐tert‐butylphenyl)amidochlorophosphites la‐f, leading to the phosphenimidous esters 3a–f. The crystal structures of phosphites 1a and 1d provide a stereochemical explanation for the better thermal stability of 1d On the basis of these observations a convenient and general synthesis of phosphenimidous esters 3a–f is presented.
A new method for construction of cyclic enones via phosphonate anions
Authors: Furuta Toshiaki , Oshima Eriko , Yamamoto Yoshinori 
Published: January 2005

AbstractThe reaction of 2,2‐disubstituted 1,3‐cyclohexane‐diones (1) with dimethyl methylphosphonate anion in the presence of trimethylsilyl chloride produces 3‐substituted 2‐cyclohexenones (2) in moderate to very good yields. This new overall reaction is accounted for by (1) attack of the phosphonate anion on a carbonyl group, (2) retro‐aldol cleavage, (3) reorganization of the acidic proton, and (4) an intramolecular Wadsworth‐Emmonds condensation. The new rearrangement is applied to a short synthesis of (±)‐α‐acoradiene. The synthesis of 3‐sub‐stituted 2‐cyclopentenones (10) is accomplished via two‐step processes.
Study on the α‐sulfenylation of 3‐sulfolenes
Authors: Chou Ta‐shue , Chang Sheng‐Yueh 
Published: January 2005

AbstractThe reactions of 3‐sulfolenes with PhSCl under basic‐conditions produce phenyl 1,3‐butadienethiosulfonates 7a–d in low yields without the formation of 2‐sulfenylated 3‐sulfolenes 8. Compounds 7a–d can be prepared in high yields from 3‐sulfolenes by the sequence of deprotonation, anionic cycloreversion, and phenylsulfenylation reactions.
A selective synthesis of 3‐alkynl perflouroalkyl ketones by the trifluoroborane etherate mediated 1,4‐addition reaction of (1‐alkynyl)diisopropoxyboranes to α,β‐unsaturated ketones
Authors: Takada Ei‐ichi , Hara Shoji , Suzuki Akira 
Published: January 2005

AbstractA variety of 3‐alkynyl perfluoroalkyl ketones were prepared by a trifluoroborane etherate mediated 1,4‐addition reaction of (l‐alkynyl)diisopropoxyboranes to α,β‐unsaturated ketones substituted by a perfluoroalkyl group. The undesired side reaction, such as 1,2‐addition of alkynyl groups, could be avoided completely and the products were obtained in high yields.
Further evidence to understand the stereochemistry of the reactions of α‐sulfinyl carbanions
Authors: Ohno Atsuyoshi , Higaki Masato , Okamura Mutsuo 
Published: January 2005

AbstractThe stereochemistry of the α‐sulfinyl carbanion has been studied. It has been elucidated that a 2‐pyridylmethyl substituent on the sulfinyl sulfur chelates onto the counter cation in an ion pair to fix the conformation of the anion at a particular orientation. Then, the steric bulk of the other substituent plays a role to control the reacting face. A soft electrophile such as methyl iodide attacks the anion from the more open side. On the other hand, a hard electrophile such as a proton is initially trapped by the polar part of the ion pair and no steric effect operates.
Effect of phosphorus ligands on the hydroformylation of olefins over rhodium catalysts under atmospheric pressure
Authors: Chen Wanzhi , Liao Shijian , Xu Yun 
Published: January 2005

AbstractThe hydroformylation of olefins over rhodium catalysts, with phosphorus ligands added in situ, has been studied under atmospheric pressure. In the case of the Rh4(CO)12 cluster, the phosphine‐modified catalyst exhibits very high activity, but there is a decay of catalyst activity with time. The deactivation mechanism of this catalyst has been discussed. In the case of rhodium complexes, Rh(LL′)(CO)2, containing chelate ligands with oxygen and nitrogen as coordinate atoms, the phosphine‐modified catalysts exhibit fairly active activity and very good stability. All these catalysts afford almost 100% chemoselectivity to aldehydes. The regioselectivity is strongly dependent on the nature of the substrate used. The choice of a suitable phosphorus ligand for the catalytic hydrofor‐mylation is dependent on the nature of the rhodium complex used. The effect of phosphorus ligands on the hydroformylation of olefins over rhodium catalysts under normal pressure displays some special features in comparison with that performed under a higher pressure.
Synthesis of trimethylsily enynyl carboxylates via a silylated arsonium ylide
Authors: Shen Yanchang , Xiang Yuejun 
Published: January 2005

AbstractSilylated enynyl carboxylic esters can be synthesized with high stereoselectivity by the reaction of 3‐trimethylsilyl 2‐propynylidenetriphenylarsorane, generated in situ from the corresponding arsoniunm salt with n‐butyllithium and α‐bromoacetic esters.
Umpolung reactivity of allylic phosphonates. A simple route to 3‐aminoalkane‐ and 3‐amino‐1‐alkenylphosphonates (phosphinates and phosphine oxides)
Authors: Lu Xiyan , Sun Junhui , Zhu Jingyang 
Published: January 2005

AbstractDibutyl allylphosphonate can react with palladium chloride to give the dibutyl phosphorylated π‐allylpalladium chloride complex which was found to be able to react with a nucleophile, such as sodium dimethyl malonate, to give a functionalized 1‐alkenyl‐phosphonate. A 1‐acetoxyallylic phosphonate can be regarded as the precursor of a phosphorylated π‐allylic palladium complex in a palladium(O) catalyzed reaction, and the latter reacts with nucleophiles to yield 3‐substituted I‐alkenylphosphonates. The reaction is regioselective. Using this methodology, 3‐aminoalkane‐ and 3‐aminoalkenylphosphonates were synthesized from 1‐acetoxyallylic phosphonates regioselectively.
Hypervalent iodine in synthesis: 13: Action of phenyliodine(III) dicarboxylates on diaryltellurides: A facile and general method for the preparation of diaryltellurium dicarboxylates
Authors: Liu Zu‐Dong , Chen Zhen‐Chu 
Published: January 2005

AbstractA facile and general method for the preparation of diaryltellurium dicarboxylates is described. The method involves simply the stirring of phenyliodine(III) dicarboxylates with diaryltellurides in chloroform at room temperature.
Studies on organosilicon reactive intermediates. VI. Photolysis of trisilanes containing heterocycles
Authors: Wu Shi‐Hui , Qian Hu , Wu Ge , Jiang Nan 
Published: January 2005

AbstractBoth 2‐phenyl‐2‐furylhexamethyltrisilane (1) and 2‐phenyl‐2‐thienylhexamethyltrisilane (2) were synthesized by conventional organometallic reactions. The photolysis of 1 in the presence of 2,3‐dimethyl‐1,3‐butadiene led to normal silylene‐olefin addition and silylene CH insertion reactions. However, when 2 was photolyzed in a methanol‐cyclohexene system, an apparent radical reaction occurred. We suspect that the sulfur atom of the thienyl group strongly stabilizes a silyl radical. This result was supported by both identifying its typical radical reaction products and examining the ESR spectrum of its adduct with a radical trap.
Sulfenylation reactions with disulfides in the presence of CCl4/base+
Authors: Hesselbarth Frank , Wenschuh Eberhard 
Published: January 2005

AbstractSulfenylation of active methylene compounds with disulfides and CCl4/base, proceeding in two steps, gives rise to more than 50% of the introduced sulfur component due to the reoxidation of the thiolate into the starting disulfide. Depending on the reaction conditions, arylacetonitriles and diaryl disulfides react to form mono‐ or bis‐sulfenylated products. By use of this method, a number of previously unknown α, α‐bis‐sulfenylated nitriles were prepared.
Studies on organophosphorus compounds 59. Regioselective phosphorylation and formylation of propenylphosphonates—A novel and convenient route to propenylidenebisphosphonates and 1‐methoxycarbonylpropenylphosphonates
Authors: Yuan Chengye , Li Chaozhong 
Published: January 2005

AbstractPhosphorylation and formylation of 2‐(or 1‐)propenylphosphonates show high α‐regioselectivity and give, under different conditions, 2‐propenylidenebisphosphonates, 1‐methoxycarbonyl‐2‐propenylphosphonates, ethenylidebenebisphosphonates, and 1‐methoxycarbonylethenylphosphonates, respectively, in high yields.
Synthesis of triphenylphosphonium trichlorogermanate and analogs. Preparation of germylenes from triphenylphosphonium trichlorogermanate
Authors: Zhu Qinyan , Ford Kelley L. , Roskamp Eric J. 
Published: January 2005

AbstractTriphenylphosphonium trichlorogermanate was prepared in quantitative yield by reducing germanium tetrachloride‐triphenylphosphine (1:1) with tributyl‐tin hydride in diethyl ether. Heating the phosphonium salt at 245°C gave Ph3P‐GeCl2 in 90% recrystallized yield. Treatment of the phosphonium salt with LiN(TMS)2 gave Ge[N(TMS)2]2 in 70–77% yield. Reaction of tin dichloride or zinc dichloride with triphenylphosphine and hydrogen chloride yielded tin and zinc analogs of triphenylphosphonium trichlorogermanate.
The synthesis of novel phosphonodipeptides and their herbicidal activity
Authors: Chen Ru‐Yu , Zhang Yue‐Hua , Chen Mu‐Ru 
Published: January 2005

AbstractA series of novel phosphonodipeptides has been synthesized from diphenyl α‐aminoalkylphosphonates and N‐chloroacetyl‐N‐alkyl (or aryl)glycine ethyl esters. The structures of all the compounds prepared were proved by 1H NMR, IR, MS, and elemental analyses. The bioassay tests showed that some of the compound have good herbicidal activity.
Studies on organophosphorus compounds 61 substituent effects in organophosphorus esters
Authors: Yuan Chengye , Li Shusen , Hu Wenxiang , Fen Hainzhen 
Published: January 2005

AbstractExamination of several model organophosphorus compounds, bicyclic phosphates (1), p‐substituted phenylphosphonates (2), and acidic alkylphosphonates (3) reveals that the polar substituent effect in organophosphorus esters parallels that of carbon compounds. No significant variation in polar effects of different alkyl groups with up to 10 carbon atoms is observed. As demonstrated by us, the commonly used Kabachnik polar constant σΦ for alkyl groups of organophosphorus compounds reflects the steric effect associated with steric hindrance to solvation of acidic anions. Therefore, a set of solvation steric parameters Eps has been calculated from pKa values of organophosphorus acids. This parameter can be applied to describe the structural effect on dissociation of organic acids and, after suitable modification, may reflect the steric effect of alkyl groups in hydrolytic reactions of organophosphorus esters.
Convenient synthesis of 1‐alkoxy‐di‐ and tetrahydrophosphinine 1‐oxides by ring enlargement
Authors: Keglevich Gyöurgy , Töuke Láaszlöa , Kováacs Attila , Töath Gáabor , Újszászy Kálmán 
Published: January 2005

AbstractThe double bond of the P‐alkoxy 3,4‐dimethyl‐2,5‐dihydro‐1H‐phosphole 1‐oxides reacts easily with dichlorocarbene to give two diastereomers of an unstable adduct useful in the synthesis of ring expanded products, such as 1,2‐dihydrophosphinine oxides or 1,2,3,6‐tetrahydrophosphinine oxides. The former can be prepared by thermolysis of the adducts, while the latter are obtained by cyclopropane ring opening effected by silver nitrate in an alcoholic solvent. The preparation of the double‐bond isomers of 1‐alkoxy‐tetrahydrophosphinine oxides containing only one methyl substituent in the ring is also described. The reaction of dihydro‐1H‐phosphole oxides with dichlorocarbene can be modified to give P‐alkoxy 1,4‐dihydrophosphinine oxides in an unexpected reaction.
Luminescent nitro derivatives of benzotriazolo[2,1a]benzotriazole
Authors: Lu Qi , Boyer Joseph H. 
Published: January 2005

AbstractFluorescence was enhanced and laser activity introduced by substitution in 5,11‐dehydro‐5H,11H‐benzotriazolo[2,1‐a]benzotriazole 6 to give 2‐nitro, 2,8‐dinitro, 2,4,8‐trinitro, and 2,4,8,10‐tetranitro derivatives 9a–d. Luminescence for compounds 6 and 9a–d and the 2,8‐dinitro‐3,9‐dimethyl and 2,3,8,9‐tetramethyl‐4,10‐dinitro derivatives 11a,b was erratically solvent dependent when examined in ethyl acetate, acetonitrile, and acetone and was most efficient in the 2,8‐dinitro derivative 9b [λf 479 nm (ethyl acetate) Φ 0.98, λf 501 nm (acetonitrile) Φ 0.58, and λf 494 nm (acetone) Φ 0.61] and in the tetranitro derivative 9d [λf 509 nm (acetonitrile) Φ 0.81 and λf 511 nm (acetone) Φ 0.66]. With laser activity at 560–590 nm (acetonitrile) the dye 9b was 30% as efficient as rhodamine 6G (ethanol) in power output. Luminescence was quenched by the reduction of nitro groups to give 2‐amino and 2,8‐diamino derivatives 9e,f and by the conversion of the tetranitro compound 9d to an unassigned diazido dinitro derivative 9g. Luminescence was not detected in 2,5‐dimethyl‐3,6‐dinitro‐1,3a‐4,6a‐tetraazapentalene 14 and ethyl 2,5‐dimethyl‐1,3a,4,6a‐tetraazapentalene‐3,6‐dicarboxylate 15. Azidoazobenzenes were obtained from 4‐methyl‐ and 4,5‐dimethyl‐1,2‐phenylene diamines via oxidation with lead dioxide to aminoazobenzene derivatives followed by treatment of the diazotized amines with sodium azide and thermolysis of azido intermediates to give 3,9‐dimethyl and 2,3,8,9‐tetramethyl derivatives 10a,b of the triazolotriazole 6. Nitration converted the triazole 6 to the 2,4,8‐trinitro derivative 9c and the alkyltriazoles to their dinitro derivatives 11a,b.
β‐Benzotriazolylethyl phosphates and phosphonic esters
Authors: Katritzky Alan R. , Mortikov Valery Yu. , Lam Jamshed N. , Sutharchanadevi Murugan , Francisco Manuel A. 
Published: January 2005

Abstractβ‐(1‐Benzotriazolyl)ethyl dibutyl phosphate and the 2‐benzotriazolyl analog were prepared from dibutyl phosphite and 1‐ and 2‐(β‐hydroxyethyl)benzotriazoles, respectively. Dialkyl β‐(N‐benzotriazolyl) ethylphosphonates were prepared from the corresponding dialkyl β‐bromoethylphosphonates. In both types of compounds, elimination of benzotriazole occurs in base; interestingly, such elimination is significantly faster in each series for the 2‐substituted benzotriazole than for the corresponding 1‐isomer.
An NMR study of a 13C‐labeled hypervalent (10‐C‐5) [1] pentacoordinate carbon species
Authors: Forbus T. R. , Martin J. C. 
Published: January 2005

AbstractRemoval of two electrons from 1,8‐bis(4‐methylphenylthio)‐9‐(2, 6‐dimethoxyphenyl‐1‐13C)‐10‐phenylanthracene (2) provides stable dication 1. Isotopic enrichment (85%) of 13C at the labeled site of the aromatic carbon, between the two sulfurs, makes possible the observation of spin‐spin coupling constants between this 13C‐carbon and the directly bonded equatorial ligand carbons. The magnitudes of these coupling constants (two 1JC1′C2′ = 61.9 Hz and one 1JC1′C9 = 56.3 Hz) suggest that this carbon is sp2 hybridized, with the postulated trigonal bipyramidal (TBP) geometry about this carbon center. The 13C NMR chemical shifts for the 10‐C‐5 carbon (δ 109.3) and for other carbons provide strong evidence against alternative structures for this dication. The data are consistent with the 10‐C‐5 species, with apical sulfonium ligands and equatorial carbons of the hypervalent TBP carbon species 1.
Electrochemical evidence for hypervalent (10‐C‐5) [1] pentacoordinate carbon
Authors: Forbus T. R. , Kahl J. L. , Faulkner L. R. , Martin J. C. 
Published: January 2005

AbstractThe electrochemical oxidation of 1,8‐bis(4‐methylphenylthio)‐9‐(2, 6‐dimethoxyphenyl)‐10‐phenylanthracene (2) is discussed. It undergoes facile, reversible two‐electron electrooxidation in two closely spaced one‐electron steps at E′ = 0.98 V and E′ = 1.02 V (vs. SCE). This behavior is discussed in terms of relief of three‐center antibonding interaction involving the 1‐, 8‐, and 9‐substituents of 2 with two sulfurs and a carbon of the 2,6‐dimethoxyphenyl group, which becomes a stabilized three‐center bonding interaction in dication 1. The central atom in the three‐center bond is a hypervalent pentacoordinate carbon atom.A related two‐center antibonding interaction present in 1‐(4‐methylphenylthio)‐9‐(2,6‐dimethoxyphenyl)‐10‐phenylanthracene (5) is relieved by facile one‐electron oxidation (Ep = 1.14 V vs. SCE) forming 7. Removal of a second electron (Ep = 1.34 V vs. SCE) from anthracene 5 results in an unstable dication, 8.Other analogous anthracene derivatives lacking both thioaryl groups (4) or the 9‐aryl group (4) prove much more difficult to oxidize, both showing oneelectron reversible oxidation potentials of 1.27 V (vs. SCE) similar to 9‐phenylanthracene (1.34 V vs. SCE) and 9,10‐diphenylanthracene (1.22 V vs. SCE).These results provide strong evidence for the postulated structure of dication 2 which incorporates hypervalent pentacoordinate carbon, a 10‐C‐5 species [2,3].
Modified neglect of diatomic overlap calculations on boron‐nitrogen derivatives of nonbenzenoid aromatics. II. The analysis of the 130 possible nonfully boron‐nitrogen‐alternating isomers of pentaazapentaboraazulene
Authors: McFarland Jennifer D. , Zoellner Robert W. 
Published: January 2005

AbstractModified neglect of diatomic overlap (MNDO) calculations have been used to investigate the ground state properties of the 130 nonfully boron‐nitrogenalternating isomers of pentaazapentaboraazulene (PAPBAZ), N5B5H8. The two most stable of these nonfully boron‐nitrogen‐alternating isomers, 1,2,3a, 5,7‐pentaaza‐3,4,6,8,8a‐pentaboraazulene, (1,2,3a, 5,7‐PAPBAZ) (3), and 1,3,3a,5,7‐PAPBAZ (4) have strongly exothermic heats of formation (−142.5 and −142.4 kcal/mol, respectively), while the two least stable isomers, 1,6,7,8,8a‐PAPBAZ (131) and 1,2,3,3a,8a‐PAPBAZ (132), are calculated to have endothermic heats of formation (+95.43 and +96.31 kcal/mol, respectively). Each isomer optimized as a slightly to extremely nonplanar molecule, but each remained a bicyclic system containing a seven‐membered ring fused to a five‐membered ring. Thus, no ring‐opened structures were observed. An empirical relationship between the heat of formation and the number, position, and type of homonuclear (NN or BB) bonds present in the molecules could be established, but as the heat of formation for the molecules became more positive, the relationship became less strong. A general trend of diminishing energy difference between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) was observed as the heat of formation became more positive. In addition to a discussion of the structures of (3), (4), (131), and (132), the structures of 2,3a,4,6,8‐PAPBAZ (9), 2,3a,5,6,8‐PAPBAZ (11), 1,2,4,6,8‐PAPBAZ (15), 2,3a,4,7,8a‐PAPBAZ (19), 1,3a,4,5,8‐PAPBAZ (32), 1,2,3,5,7‐PAPBAZ (47), 1,3a,5,8,8a‐PAPBAZ (67), 1,3a,6,7,8a‐PAPBAZ (87), 3a,4,6,8,8a‐PAPBAZ (106), 1,2,3,5,6‐PAPBAZ (109), 1,2,3a,8,8a‐PAPBAZ (116), and 4,5,6,7,8‐PAPBAZ (130) are discussed in detail. Some of these molecules were chosen because they represent the minima and maxima, respectively, in heats of formation [(3), (4), (130), (131), and (132)], ionization potentials [(9) and (32)], differences in LUMO and HOMO energies [(106) and (32)], and dipole moments [(11) and (87)]. The remaining molecules were chosen because each represent the most stable system containing the following homonuclear chains: B‐B‐B (15), N‐N‐N (19), B‐B‐B‐B (47), N‐N‐N‐N (67), B‐B‐B‐B‐B (109), and N‐N‐N‐N‐N (116).