の距離が4.0 Å 以上離れていることから，Au-π 相互作用が発現し

の距離が4.0 Å 以上離れていることから，Au-π 相互作用が発現していないと考
えた。
アキラルな錯体A-Bi6 と柔軟鎖のコア部位近傍に不斉中心を有するRac-Bi6
は，それぞれ同一のコア部位を有し，分子構造としては柔軟鎖のわずかな違い
しかない。しかしながら，それらの結晶構造を比較すると，Rac-Bi6 の方が，金
原子間距離が近接することがわかった。また結晶構造解析を行った全ての錯体
において，アルコキシ鎖が伸長したオールトランス型の錯体は金原子間距離が
比較的遠く，それに対してアルコキシ鎖が折れ曲がり構造を有すると，金原子
間同士が接近し親金相互作用を発現している傾向が見られた。折れ曲がり構造
をもつ錯体は，全てアルコキシ鎖がコア部位に対してアキシアル配向を示して
いるため，これにより錯体が密にパッキングできたと考察した。
次に，各錯体にはたらくCH•••π 相互作用について検討した。CH•••π 相互作用
はアルキル鎖や芳香環上のC-H 結合とπ 電子の間にはたらく分子間相互作用で
あり，CH•••π 間距離がそれぞれ2.65 ~ 2.85 Å（CAlkyl-H•••π），2.49 ~ 2.75 Å
（CAryl-H•••π）のときに発現することが報告されている69。アキラルな柔軟鎖を
有する金錯体はいずれもCAlkyl-H•••π 相互作用は観測されず，CAryl-H•••π 相互作用
もA-Bi6 のみで観察された。これはビフェニル骨格が，二種類のベンゼン環と
2,2’-位の水素結合同士の立体反発を避けるためにねじれた構造をしており，分
子間のベンゼン環上のC-H 結合の反結合軌道が適切な距離に存在したためだと
推察している。一方，柔軟鎖に不斉中心を有するRac-Bi6 やS-Nap6 において，
CAlkyl-H•••π 相互作用が観察され，Rac-Bi6 の場合には，さらにCAryl-H•••π 相互作
用も同時に発現していることが明らかになった。CAlkyl-H•••π 相互作用が発現した
のはいずれも不斉中心にメチル基を有する錯体であり，そのメチル基が芳香環
のπ 電子を受け入れるのに適切な位置に存在できたためだと考えている。さら
に，Rac-Bi6 は，前述のとおり，親金相互作用も発現していると考えられるため，
多重の分子間相互作用がはたらくことで分子同士が接近し，金原子同士も近づ
きやすくなったと考察した。このように，柔軟鎖やコア部位の構造によって凝
集構造が多様に変化し，これにともなって分子間相互作用の数や様式も変化す
ることがわかった。

ผลลัพธ์ (อังกฤษ) 1:

The distance is more than 4.0 Å away from AU-π-interactions with thoughtBeyond.In the vicinity of the core parts of achiral complexes A-Bi6 and flexible chain asymmetric Rac-Bi6 with heartThe slight difference between the flexible chain of molecular structures, each having a core part of the sameOnly. However, comparing their crystal structures, and Rac-Bi6 better, gold.Found that the distance between the atoms. Also all complex crystal structure analysisIn the elongated alkoxy chains all TRANS complexes is gold Atomic distanceComparison, and farther on, against it with a bent structure alkoxy chain gold atomsWhile close together parent tended gold interaction is expressed. Bent structureAlkoxy chain showed axial orientation on core complexes, allAnd because this was packing tightly complexes is discussed.CH in each complex works, • • • studied π-interactions. CH • • • PI interactionsThe alkyl and aromatic rings in between on the c-h bond and π-electron molecular interactionsAnd CH • • • PI between distance each 2.65-2.85 Å (CAlkyl-H • • • PI), 2.49-2.75 Å(CAryl-H • • • PI) of 69 develops when it is reported. Flexible chains achiralGold complexes with the CAlkyl-H • • • π interaction is observed, CAryl-H • • • PI interactionsAlso observed in only A-Bi6. This is the biphenyl skeleton, 2 kind of benzenoid and2, 2 '-and, to avoid steric repulsion of hydrogen bonding between the:Between the benzene rings that existed in the antibonding orbital of the c-h bond in the proper range withAre suggested. On the other hand, a flexible chain asymmetric Center with Rac-Bi6 and S-Nap6CAlkyl-H • • • π interaction is observed in the case of the Rac-Bi6, even CAryl-H • • • π interaction worksIt became clear for expresses at the same time. CAlkyl-H • • • expressed π interactionThe is any Chiral complexes with methyl groups in the Center, and the methyl group is the aromatic ringOf thinking because it was in the proper position to accept the π-electron. In additionIn Rac-Bi6 are, as mentioned earlier, parents to be considered gold interaction is expressed,Approaching molecules by Intermolecular interactions of multiple works, KANEHARA child together is approachingDiscussed was easy. In this way, personified with flexible chains and core areas ofCollection structure and changes in many ways, this number of Intermolecular interaction and style changed.I found that.

ผลลัพธ์ (อังกฤษ) 2:

From the distance is far more than 4.0 Å, considered and Au-π interaction is not expressed
stalk.
Rac-Bi6 having achiral complexes A-Bi6 the asymmetric center in the core region near the flexible chains
are each have the same core part, a slight difference in the flexible chains as molecular structures
only. However, comparing their crystal structure, towards Rac-Bi6 is gold
inter atomic distance is found to be close. In addition all of the complex was crystal structure analysis
in a complex of all-trans-type alkoxy chain is extended to between gold atoms distance is
relatively far away, and having an alkoxy chain is bent structure to it, gold atoms
between each other close trend expressing Oya-kin interaction and was seen. Bent structure
complexes with, all alkoxy chains show an axial orientation relative to the core site
for which was discussed to have This complex is densely be packed.
Then, we were examined CH ••• π interaction acting in each complex. CH ••• π interaction
is the intermolecular interaction acting between the CH bond and π electrons on the alkyl chain and the aromatic ring
is, CH ••• π between distance - each 2.65 2.85 Å (CAlkyl-H •• • π), 2.49 ~ 2.75 Å
(Caryl-H ••• π) to be expressed has been reported at 69. Achiral flexible chain
both CAlkyl-H ••• π interaction gold complex with was not observed, CAryl-H ••• π interaction
was also observed only in the A-Bi6. This is biphenyl skeleton, two types of benzene ring and
has a twisted structure in order to avoid the steric repulsion of the hydrogen bond between the 2,2'-position, minute
anti-bonding of CH bond on the benzene ring between the child trajectory to be because that existed in the appropriate distance
is being estimated. On the other hand, in Rac-Bi6 and S-Nap6 having an asymmetric center at the flexible chain,
CAlkyl-H ••• π interaction is observed, in the case of the Rac-Bi6 further CAryl-H ••• π interaction
It use also found to be expressed at the same time. CAlkyl-H ••• π interactions have been expressed
both is given a complex having a methyl group at the chiral centers, a methyl group is an aromatic ring
when because that could be present in the appropriate position to accommodate the π electrons of thinking. Further
the, Rac-Bi6, as described above, since it is considered that also expressed Oya-kin interaction
between molecules is approached by intermolecular interactions of multiple works, among gold atom closer
is Kiyasuku It was considered to have. In this way, the co by the structure of the flexible chain and core site
collection structure changes in various ways, you also change the number and style of intermolecular interactions along with this
is Rukoto was found.

ผลลัพธ์ (อังกฤษ) 3:

The ， distance from 4.0 angstroms or more away with the study of the expression and Au π interaction. A and complex. Bi 6 sites near the core of flexible chain Rac. 6. Bi chiral ， at a same axial core part has ， only slight difference at the molecular chain structure and flexible. However ， compared to their crystal structure and ， ， of Rac Bi 6. It is close to the distance between atoms of gold. The crystal structure of the complexes at all in the ，When the distance between the gold atoms at a relatively long distance ， of all-trans complexes with alkoxy chain elongation and bending structure ， alkoxy chain to approach it with each other between the gold atoms by expressing aurophilic interaction tendency. At the ， complexes with folding structure for a show at the ， axial orientation with respect to the core position in all the alkoxy chains are considered in the dense complex packing. At the next ， in CH work •••. PI. Interaction of these complexes were investigated.The CH ••• interaction and C -- H binding on the aromatic ring and the alkyl chain of π electrons in the interaction between the interaction between molecules and the distance between the ， CH ••• respectively to 2.85 2.65 PI (PI CAlkyl -- H •••) ， 2.49 to 2.75 Å
（ CAryl H ••• PI). Reported that the expression in time. ， achiral gold complexes with flexible chain at any CAlkyl H •••. PI. Interactions were observed for CAryl H ••• interaction at the A alone. Bi 6 was observed. This is a biphenyl skeleton ，The benzene ring and two kinds of 2, twisted to avoid steric repulsion between the hydrogen bonding of ’- structure and ， because of C -- H bonding on the benzene ring of the minutes at the child in the distance at that. On the other hand ， with chiral center and flexible chain Rac Bi -- 6 -- 6 S Nap in CAlkyl 3h-prolin and H ••• interaction was observed in the case of ， ， Rac Bi. 6. For further CAryl H ••• pi interaction at the same time expressed in.CAlkyl appeared on both H •••. PI. Interaction of the complexes with chiral methyl groups are ， is suitable for such a methyl group to accept the Pi of the aromatic ring which can exist at the position. In the disc 6 at the ， ， Rac as described above. Bi ， ， interactions between multiple 3h-prolin molecular approaches to work with molecules are considered to be expressed parent interactions are considered and comfortable at or near each other money. In this way ， core portion and flexible chain structure by segregation.Changes in the structure of various ， and it is found that the change of the number of intermolecular interactions and style.